Isocoumarin
CAS Registry Number®
491-31-6
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CAS Name
IsocoumarinMolecular Formula
C9H6O2Molecular Mass
146.14Cite this Page
Isocoumarin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=491-31-6 (retrieved ) (CAS RN: 491-31-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
286 °CMelting Point (1)
47 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C9H6O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
InChIKey
InChIKey=IQZZFVDIZRWADY-UHFFFAOYSA-N
SMILES
O=C1C=2C(C=CO1)=CC=CC2
Canonical SMILES
O=C1OC=CC=2C=CC=CC12
Other Names for this Substance
- 1H-2-Benzopyran-1-one
- Isocoumarin
- Benzoic acid, 2-(2-hydroxyethenyl)-, δ-lactone
- 3,4-Benzo-2-pyrone
- 1H-Isochromen-1-one
