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(Q83007585)
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Benzenepropanoic acid, beta,beta-dimethyl- (9CI)
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
178.2281
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₄O₂
0 references
canonical SMILES
CC(C)(CC(=O)O)C1=CC=CC=C1
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Identifiers
InChI
InChI=1S/C11H14O2/c1-11(2,8-10(12)13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13)
0 references
InChIKey
JTZZMXVIHNHASS-UHFFFAOYSA-N
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CAS Registry Number
1010-48-6
1 reference
stated in
CAS Common Chemistry
retrieved
6 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1010-48-6
InChIKey
JTZZMXVIHNHASS-UHFFFAOYSA-N
PubChem CID
13890
0 references
UniChem compound ID
23704940
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40143622
0 references
DSSTOX compound identifier
DTXCID0066113
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NSC number
1046
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200697
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408029
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