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CAS Number: 39496-82-7
4-oxo-4-(4-propoxyphenyl)butanoic acid

Structure

 4-oxo-4-(4-propoxyphenyl)butanoic acid
Name: 4-oxo-4-(4-propoxyphenyl)butanoic acid
Synonyms:
General Information
Product Number: 39496827

CAS Registry Number 39496-82-7
Name:
Benzenebutanoic acid, γ-?oxo-?4-?propoxy-
Propionic acid, 3-(p-propoxybenzoyl)- (7CI)
3-(p-Propoxybenzoyl)propionic acid
4-Oxo-4-(4-propoxyphenyl)butanoic acid

 

Chemical Formula: C13H16O4
Exact Mass: 236.10
Molecular Weight: 236.26
m/z: 236.10 (100.0%), 237.11 (14.4%), 238.11 (1.8%)

 

InChI:InChI=1S/C13H16O4/c1-2-9-17-11-5-3-10(4-6-11)12(14)7-8-13(15)16/h3-6H,2,7-9H2,1H3,(H,15,16)

InChI Key:XYZVSEPTKOAAPV-UHFFFAOYSA-N

Canonical SMILES:CCCOC1=CC=C(C=C1)C(=O)CCC(=O)O

 

Thermal Properties Value Condition Note
Melting Point 114-115 °C   (1)CAS
Melting Point 112-113 °C   (2)IC

Specification

98%
References
  1. (1) Profft, E.; Journal fuer Praktische Chemie (Leipzig) 1954, V1, P57-86 CAPLUS
  2. (2) Ozeki, Koji; Yakugaku Zasshi 1987, V107(4), P268-73 CAPLUS
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