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