KEGG   COMPOUND: C14396Help
Entry
C14396                      Compound                               

Name
Cumene;
Isopropylbenzene
Formula
C9H12
Exact mass
120.0939
Mol weight
120.1916
Structure
Mol fileKCF fileDB search
Brite
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C14396  Cumene
BRITE hierarchy
Other DBs
CAS: 98-82-8
PubChem: 17395396
ChEBI: 34656
ChEMBL: CHEMBL1398949
NIKKAJI: J3.581E
LinkDB All DBs
KCF data Show

ATOM        9
            1   C8x C    27.0901  -17.0102
            2   C8x C    27.0901  -18.4102
            3   C8x C    28.3025  -19.1102
            4   C8x C    29.5150  -18.4102
            5   C8x C    29.5150  -17.0102
            6   C8y C    28.3025  -16.3102
            7   C1c C    28.3025  -14.9104
            8   C1a C    27.0733  -14.2005
            9   C1a C    29.4981  -14.2199
BOND        9
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     7   9 1

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