338
  -OEChem-04250617232D

 16 16  0     0  0  0  0  0  0999 V2000
    5.1350    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 11  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
338

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAAwDoAAAgCIAiDSCAACAAAkIAAIiAEGCMgIJzaCFRKAcUAl4BEImYeIyKCOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-hydroxybenzoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-hydroxybenzoic acid

> <PUBCHEM_IUPAC_NAME>
2-hydroxybenzoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-hydroxybenzoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-hydroxybenzoic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/f/h9H

> <PUBCHEM_CACTVS_XLOGP>
1.76

> <PUBCHEM_CACTVS_EXACT_MASS>
138.032

> <PUBCHEM_OPENEYE_MF>
C7H6O3

> <PUBCHEM_OPENEYE_MW>
138.121

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)C(=O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)C(=O)O)O

> <PUBCHEM_CACTVS_TPSA>
57.53

> <PUBCHEM_OPENEYE_MONOISOTOPICWT>
138.032

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
4

> <PUBCHEM_SUBSTANCE_ID>
149174

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000069727

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Carboxyphenol
2-Hydroxybenzenecarboxylic acid
2-Hydroxybenzoic acid
4-10-00-00125 (Beilstein Handbook Reference)
69-72-7
7681-06-3
8052-31-1
AI3-02407
Acido o-idrossibenzoico [Italian]
Acido salicilico [Italian]
Acidum salicylicum
BRN 0774890
Benzoic acid, 2-hydroxy-
CCRIS 6714
Caswell No. 731
Compound W
Domerine
Duofilm
Duoplant
EINECS 200-712-3
EPA Pesticide Chemical Code 076602
Fostex
Freezone
HSDB 672
Ionil
Ionil-Plus
Keralyt
Kyselina 2-hydroxybenzoova [Czech]
Kyselina salicylova [Czech]
NSC 180
Orthohydroxybenzoic acid
Pernox
Phenol-2-carboxylic acid
Psoriacid-S-stift
Retarder W
Rutranex
SALICYLIC ACID
Salicylic acid & Sulfur Soap
Salicylic acid [USAN:JAN]
Salicylic acid collodion
Salicylic acid soap
Salicylic acid, tech.
Saligel
Salonil
Sebucare
Sebulex
Stri-Dex
Trans-Ver-Sal
Verrugon
o-Carboxyphenol
o-Hydroxybenzoic acid

> <PUBCHEM_GENERIC_REGISTRY_NAME>
69-72-7
7681-06-3
8052-31-1

> <PUBCHEM_XREF_EXT_ID>
000069727

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=000069727

> <PUBCHEM_CID_ASSOCIATIONS>
338  1

> <PUBCHEM_BONDANNOTATIONS>
5  6  8
5  7  8
6  8  8
7  9  8
8  10  8
9  10  8

$$$$