3,4-Dihydro-1H-2-benzopyran-4-one

C₉H₈O₂CAS 20924-56-5148.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₈O₂
Molar mass: 148.16 g/mol
Exact mass: 148.0524 Da
logP: 1.40Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

20924-56-5

SMILES

C1C2=CC=CC=C2C(=O)CO1

InChIKey

OYXTZAZUFUWSIR-UHFFFAOYSA-N

InChI

InChI=1S/C9H8O2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2

Weigh it out

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Names and synonyms

1 names

Isochroman-4-one

Work with 3,4-Dihydro-1H-2-benzopyran-4-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Indanone83-33-052 % similar Coumaranone7169-34-850 % similar Phthalide87-41-250 % similar 1-Tetralone529-34-048 % similar Benzosuberone826-73-347 % similar 2'-Ethylpropiophenone16819-79-746 % similar Dibenz[b,e]oxepin-11(6H)-one4504-87-446 % similar Dibenzosuberone1210-35-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Vinylbenzoic acid1075-49-6 Dihydrocoumarin119-84-6 5-Methoxybenzofuran13391-28-1 Cinnamic acid140-10-3 4-Acetylbenzaldehyde3457-45-2 5-Hydroxy-1-indanone3470-49-3 4-Hydroxyindan-1-one40731-98-4 3-Isochromanone4385-35-7

Elsewhere

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