1H-isochromene
Basic information
- CAS
253-35-0- Standard SMILES
C1=Cc2ccccc2CO1- InChIKey
MFJCPDOGFAYSTF-UHFFFAOYSA-N- Molecular formula
- C9H8O
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.05751487
Overview
1H-isochromene is an isochromene. It is a tautomer of a 3H-isochromene.
Names & identifiers
- Preferred name
- 1H-isochromene
- IUPAC
- 1H-isochromene
- English name
- 1H-2-Benzopyran
- Molecular formula
- C9H8O
- Molecular weight
- 132.16
Names & synonyms
1H-isochromeneCHEBI:36115DTXSID50429540RefChem:1058228DTXCID403803731H-2-Benzopyran253-35-0isochromene1H-isochromenSCHEMBL38482SCHEMBL129418SCHEMBL129579
Show more names
Isochrome3-Isochromene
SCHEMBL130195SCHEMBL130616SCHEMBL130665SCHEMBL132299SCHEMBL846505SCHEMBL4858833SCHEMBL6789771SCHEMBL29355434
Database identifiers
- CAS
253-35-0- PubChem CID
- 9548822
- DTXSID
DTXSID50429540- ChEBI
CHEBI:36115- Nikkaji
- J247.737H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 78 · 78-80 °C(Press: 8 Torr)
- Density
- 1.095 · 1.095±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 1H-isochromene is an isochromene. It is a tautomer of a 3H-isochromene.
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Related reactions
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Compound notes
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