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CAS Number: 16323-43-6
3-(3-oxo-2,3-dihydro-1H-inden-5-yl)propanoic acid

Structure

3-(3-oxo-2,3-dihydro-1H-inden-5-yl)propanoic acid
Name: 3-(3-oxo-2,3-dihydro-1H-inden-5-yl)propanoic acid
Synonyms:
General Information
Product Number: 16323436

CAS Registry Number 113364-52-6
Name:
1H-​Indene-​5-​propanoic acid, 2,​3-​dihydro-​3-​oxo-
NSC 674941

 

Chemical Formula: C12H12O3
Exact Mass: 204.08
Molecular Weight: 204.22
m/z: 204.08 (100.0%), 205.08 (13.2%)

 

InChI:InChI=1S/C12H12O3/c13-11-5-4-9-3-1-8(7-10(9)11)2-6-12(14)15/h1,3,7H,2,4-6H2,(H,14,15)

InChI Key:ZFHOMCHOKGGURG-UHFFFAOYSA-N

Canonical SMILES:C1CC(=O)C2=C1C=CC(=C2)CCC(=O)O

 

Thermal Properties Value Condition Note
Melting Point 146-148 °C Solv: benzene (71-43-2) (1)IC

Specification

98%

References

(1) Neudeck, Horst K.; Monatshefte fuer Chemie 1987, V118(5), P627-57 CAPLUS

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