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Structure

4-(4-Isopropyl-phenyl)-4-oxo-butyric acid

CAS
6947-81-5
Catalog Number
ACM6947815
Category
Other Products
Molecular Weight
220.26
Molecular Formula
C13H16O3

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Specification

Synonyms
4-(4-ISOPROPYL-PHENYL)-4-OXO-BUTYRIC ACID;OTAVA-BB 1043512;4-(1-Methylethyl)-gamma-oxobenzenebutanoic acid;Benzenebutanoic acid, 4-(1-methylethyl)-gamma-oxo-;Brn 3032364;Cb 830;Nsc 56154
IUPAC Name
4-oxo-4-(4-propan-2-ylphenyl)butanoic acid
Canonical SMILES
CC(C)C1=CC=C(C=C1)C(=O)CCC(=O)O
InChI Key
CRTBQADLERFRSD-UHFFFAOYSA-N
Boiling Point
400.1ºC at 760 mmHg
Flash Point
209.9ºC
Density
1.108g/cm³
Exact Mass
220.11000
H-Bond Acceptor
3
H-Bond Donor
1
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