Products 491-31-6

CAS 491-31-6 appears in our catalog under these names: 1H-2-Benzopyran-1-one, 95%, 1H–2–Benzopyran–1–one, 1H-Isochromen-1-one, >95.0%(GC), 1H-Isochromen-1-one, 97%, 97%, 1H-2-BENZOPYRAN-1-ONE, 97%(GC-MS),RG. Offered by: Combi-blocks, GLPBio, TCI, Chemat, Fluorochem. Available pack sizes: 250mg, 1g, 50mg, 100mg, 5g.

1H-2-Benzopyran-1-one, 95%
Combi-blocks
  • size: 250mg, 1g
  • Variants: 2
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1H–2–Benzopyran–1–one
GLPBio
  • size: 250mg, 50mg
  • Variants: 2
from 877.87
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1H-Isochromen-1-one, >95.0%(GC)
TCI
  • size: 100mg
  • Variants: 1
from 1519.76
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1H-Isochromen-1-one, 97%, 97%
Chemat
  • size: 100mg, 250mg, 1g, 5g
  • Variants: 4
from 400.40
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1H-2-BENZOPYRAN-1-ONE, 97%(GC-MS),RG
Fluorochem
  • size: 100mg, 250mg, 1g
  • Variants: 3
from 492.55
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Structural formula: {0} (CAS {1})

Isocoumarin is the simplest member of the class of isocoumarins that is 1H-isochromene which is substituted by an oxo group at position 1. It derives from a hydride of a 1H-isochromene.

Source: ChEBI

Identity
Molecular formulaC9H6O2
Molecular weight146.14 g/mol
IUPAC nameisochromen-1-one
InChIKeyIQZZFVDIZRWADY-UHFFFAOYSA-N
SMILESC1=CC=C2C(=C1)C=COC2=O

Computed by PubChem (NCBI)

Synonyms: Isocoumarin, 1H-2-Benzopyran-1-one, 1H-isochromen-1-one, isochromen-1-one, 3,4-Benzo-2-pyrone, Benzoic acid, 2-(2-hydroxyethenyl)-, delta-lactone, Isocoumarins
Isomers (same molecular formula)
1-benzofuran-6-carbaldehyde C9H6O2
chromen-4-one C9H6O2
4-ethynylbenzoic acid C9H6O2
1-benzofuran-3-carbaldehyde C9H6O2
2-ethynylbenzoic acid C9H6O2
5-ethynyl-2-hydroxybenzaldehyde C9H6O2
1-benzofuran-7-carbaldehyde C9H6O2
5-ethynyl-1,3-benzodioxole C9H6O2
1-benzofuran-4-carbaldehyde C9H6O2
3-ethynyl-5-hydroxybenzaldehyde C9H6O2
chromen-2-one C9H6O2
3-methylidene-2-benzofuran-1-one C9H6O2