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CAS Number: 5653-42-9
6,7-dimethoxyisochroman-1,3-dione

Structure

6,7-dimethoxyisochroman-1,3-dione
Name: 6,7-dimethoxyisochroman-1,3-dione
Synonyms:
General Information
Product Number: 5653429

CAS Registry Number 5653-42-9
Name:
1H-​2-​Benzopyran-​1,​3(4H)​-​dione, 6,​7-​dimethoxy-
1,3-Isochromandione, 6,7-dimethoxy- (7CI)
Veratric acid, 6-(carboxymethyl)-, cyclic anhydride (8CI)
3,4-Dimethoxyhomophthalic anhydride
4,5-Dimethoxyhomophthalic anhydride
6,7-Dimethoxy-1,3-isochromandione

 

Chemical Formula: C11H10O5
Exact Mass: 222.05
Molecular Weight: 222.19
m/z: 222.05 (100.0%), 223.06 (12.2%), 224.06 (1.7%)

 

InChI:InChI=1S/C11H10O5/c1-14-8-3-6-4-10(12)16-11(13)7(6)5-9(8)15-2/h3,5H,4H2,1-2H3

InChI Key:AATKSLBQUSPGJS-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C=C2C(=C1)CC(=O)OC2=O)OC

 

Thermal Properties Value Condition Note
Melting Point 175-176 °C   (2)IC
Melting Point 175 °C   (3)CAS
Melting Point 174-175 °C   (4)CAS

Specification

98%

References
  1. (2) Deshmukh, P. G.; Journal of the Indian Chemical Society 1975, V52(1), P85-6 CAPLUS
  2. (3) Potts, K. T.; Journal of the Chemical Society 1955, P2675-86 CAPLUS
  3. (4) Nizamuddin, Syed; Journal of the Indian Chemical Society 1968, V45(5), P381-4 CAPLUS
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