KEGG   COMPOUND: C16450Help
Entry
C16450                      Compound                               

Name
1,3-Butadiene
Formula
C4H6
Exact mass
54.047
Mol weight
54.0904
Structure
Mol fileKCF fileDB search
Brite
Carcinogens [BR:br08008]
 Group 1: Carcinogenic to humans
  Compounds
   C16450  1,3-Butadiene
BRITE hierarchy
Other DBs
CAS: 106-99-0
PubChem: 47205746
ChEBI: 39478
ChEMBL: CHEMBL537970
NIKKAJI: J4.043F
KCF data Show

ATOM        4
            1   C2a C    13.0900  -16.1700
            2   C2b C    14.3024  -16.8700
            3   C2b C    15.5149  -16.1700
            4   C2a C    16.7273  -16.8700
BOND        3
            1     1   2 2
            2     2   3 1
            3     3   4 2

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