4-(3-Oxobutyl)benzoic acid
CAS Registry Number®
74248-66-1
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CAS Name
4-(3-Oxobutyl)benzoic acidMolecular Formula
C11H12O3Molecular Mass
192.21Cite this Page
4-(3-Oxobutyl)benzoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=74248-66-1 (retrieved ) (CAS RN: 74248-66-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
120.5-123.0 °C
Source(s)
- (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
Other Names and Identifiers
InChI
InChI=1S/C11H12O3/c1-8(12)2-3-9-4-6-10(7-5-9)11(13)14/h4-7H,2-3H2,1H3,(H,13,14)
InChIKey
InChIKey=PJLBHTNCHZROBQ-UHFFFAOYSA-N
SMILES
C(O)(=O)C1=CC=C(CCC(C)=O)C=C1
Canonical SMILES
O=C(O)C1=CC=C(C=C1)CCC(=O)C
Other Names for this Substance
- Benzoic acid, 4-(3-oxobutyl)-
- 4-(3-Oxobutyl)benzoic acid
- 4-(4-Carboxyphenyl)-2-butanone