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CAS Number: 86788-49-0
methyl 7-hydroxy-2-oxo-2H-chromene-3-carboxylate

Structure

methyl 7-hydroxy-2-oxo-2H-chromene-3-carboxylate
Name: methyl 7-hydroxy-2-oxo-2H-chromene-3-carboxylate
Synonyms:
General Information
Product Number: 86788490

CAS Registry Number 86788-49-0
Name:
2H-​1-​Benzopyran-​3-​carboxylic acid, 7-​hydroxy-​2-​oxo-​, methyl ester
Methyl 7-hydroxycoumarin-3-carboxylate

 

Chemical Formula: C11H8O5
Exact Mass: 220.04
Molecular Weight: 220.18
m/z: 220.04 (100.0%), 221.04 (12.2%), 222.04 (1.7%)

 

InChI:InChI=1S/C11H8O5/c1-15-10(13)8-4-6-2-3-7(12)5-9(6)16-11(8)14/h2-5,12H,1H3

InChI Key:UDRWUSXZHQTTEN-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O

 

Thermal Properties Value Condition Note
Melting Point 266-268 °C Solv: water (7732-18-5) (6)CAS
Melting Point 264-267 °C   (3)CAS
Melting Point 264-267 °C   (2)CAS
Melting Point 264-267 °C   (7)CAS
Melting Point 263-266 °C   (1)CAS
Melting Point See full text   (5)CAS

Specification

98%

References
  1. (1) Valizadeh, Hassan; Synthetic Communications 2009, V39(9), P1666-1678 CAPLUS
  2. (2) Valizadeh, Hassan; Synthetic Communications 2010, V40(10), P1477-1485 CAPLUS
  3. (3) Valizadeh, Hassan; Journal of Heterocyclic Chemistry 2007, V44(4), P867-870 CAPLUS
  4. (5) Valizadeh, Hassan; Synthetic Communications 2005, V35(6), P785-790 CAPLUS
  5. (6) Rajesha; Organic Chemistry: An Indian Journal 2011, V7(6), P365-368 CAPLUS
  6. (7) Valizadeh, H.; Journal of the Iranian Chemical Society 2011, V8(1), P123-130 CAPLUS
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