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CAS Number: 51690-26-7
2-oxo-2H-chromene-6-carbaldehyde

Structure

2-oxo-2H-chromene-6-carbaldehyde
Name: 2-oxo-2H-chromene-6-carbaldehyde
Synonyms:
General Information
Product Number: 51690267
CAS Registry Number: 51690-26-7
Name:
2H-​1-​Benzopyran-​6-​carboxaldehyde, 2-​oxo-
2-​Oxo-​2H-​chromene-​6-​carboxaldehyde; 6-​Formylcoumarin; Coumarin-​6-​carboxaldehyde 
 
Chemical Formula: C10H6O3
Exact Mass: 174.03
Molecular Weight: 174.15
m/z: 174.03 (100.0%), 175.04 (11.0%), 176.04 (1.2%)
Elemental Analysis: C, 68.97; H, 3.47; O, 27.56
 
InChI: InChI=1S/C10H6O3/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-6H
InChIKey: RQCHYJGDSCWRSQ-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=CC(=O)O2)C=C1C=O
 
Thermal Properties Value Condition Note
Melting Point 174-175 °C (decomp)   (3)CAS

Specification

98%

References
  1. (1) Gottlieb, Hugo E.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) 1979, (4), P435-7 CAPLUS
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Sen, Rajendranath; Journal of the American Chemical Society 1928, V50, P2428-36 CAPLUS
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