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(Q72494711)
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English
3-methyl-4-phenyl-3-buten-2-one
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
160.2128
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₂O
0 references
canonical SMILES
CC(=CC1=CC=CC=C1)C(=O)C
0 references
Identifiers
InChI
InChI=1S/C11H12O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-8H,1-2H3
0 references
InChIKey
BQJFBHBDOAIIGS-UHFFFAOYSA-N
0 references
CAS Registry Number
1901-26-4
1 reference
InChIKey
BQJFBHBDOAIIGS-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1901-26-4
PubChem CID
61283
0 references
UniChem compound ID
25525914
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID0062050
0 references
DSSTOX compound identifier
DTXCID1035993
0 references
NSC number
46888
0 references
EC number
217-599-1
0 references
ECHA Substance Infocard ID
100.016.000
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.016.000
retrieved
29 December 2019
title
3-methyl-4-phenyl-3-buten-2-one
(English)
quotation
CAS no.: 1901-26-4
(English)
AICS Chemical ID (BEING DELETED)
7186
0 references
Human Metabolome Database ID
HMDB0031567
0 references
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