-OEChem-10311114432D

  5  4  0     0  0  0  0  0  0999 V2000
   -0.5310   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7966    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8690    0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310   -1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1310   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
149521

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000078795

> <PUBCHEM_SUBSTANCE_COMMENT>
Mutation data
Tumor data
Overall Carcinogenic Evaluation: Group 2B
Reportable Quantity (RQ) = 100 lb
Reasonably anticipated to be a carcinogen

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,3-Butadiene, 2-methyl-
2-Methyl-1,3-butadiene
2-Methylbutadiene
2-Methyldivinyl
3-Methyl-1,3-butadiene
78-79-5
78006-92-5
823271-95-0
CCRIS 6253
EINECS 201-143-3
HSDB 620
Isopentadiene
Isoprene
Isoprene, inhibited [UN1218]  [Flammable liquid]
NSC 9237
UN1218
beta-Methylbivinyl

> <PUBCHEM_GENERIC_REGISTRY_NAME>
78-79-5
78006-92-5
823271-95-0

> <PUBCHEM_XREF_EXT_ID>
000078795

> <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=000078795

> <PUBCHEM_CID_ASSOCIATIONS>
6557  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$