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CAS Number: 15991-13-6
methyl 2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetate

Structure

methyl 2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetate
Name: methyl 2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetate
Synonyms:
General Information
Product Number: 15991136

CAS Registry Number 15991-13-6
Name:
2H-​1-​Benzopyran-​4-​acetic acid, 7-​hydroxy-​2-​oxo-​, methyl ester

 

Chemical Formula: C12H10O5
Exact Mass: 234.05
Molecular Weight: 234.20
m/z: 234.05 (100.0%), 235.06 (13.3%), 236.06 (1.8%)

 

InChI:InChI=1S/C12H10O5/c1-16-11(14)4-7-5-12(15)17-10-6-8(13)2-3-9(7)10/h2-3,5-6,13H,4H2,1H3

InChI Key:YRNMDWOVAZLMDY-UHFFFAOYSA-N

Canonical SMILES:COC(=O)CC1=CC(=O)OC2=C1C=CC(=C2)O

 

Thermal Properties Value Condition Note
Boiling Point 220 °C   (1)CAS
Melting Point 221-223 °C   (6)CAS
Melting Point 220 °C Solv: methanol (67-56-1) (3)IC
Melting Point 215-217 °C Solv: methanol (67-56-1) (2)CAS
Melting Point 215-217 °C Solv: methanol (67-56-1) (4)CAS

Specification

98%

References
  1. (1) Baker, Wilson; Journal of the Chemical Society 1950, P170-3 CAPLUS
  2. (2) Dubovik, I. P.; Chemistry of Natural Compounds 2004, V40(5), P434-443 CAPLUS
  3. (3) Krejcoves, Jiri; Collection of Czechoslovak Chemical Communications 1979, V44(7), P2211-20 CAPLUS
  4. (4) Dubovik, I. P.; Chemistry of Heterocyclic Compounds (New York, NY, United States) 2007, V43(3), P277-281 CAPLUS
  5. (6) Smitha, G.; Synthetic Communications 2004, V34(21), P3997-4003 CAPLUS
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