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

C9H8O2CAS 20924-56-5148.16 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Type any one amount. The others follow from the molar mass.

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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