Coumaranone

C8H6O2CAS 7169-34-8134.13 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C8H6O2
Molar mass
134.13 g/mol
Exact mass
134.0368 Da
logP
1.26Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
7169-34-8
SMILES
C1C(=O)C2=CC=CC=C2O1
InChIKey
MGKPCLNUSDGXGT-UHFFFAOYSA-N
InChI
InChI=1S/C8H6O2/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4H,5H2

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Names and synonyms

1 names
  • 3-Coumaranone

Work with Coumaranone

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

Chromanone491-37-271 % similar 6-Bromo-1-benzofuran-3(2H)-one201809-69-058 % similar 6-Hydroxy-2H-benzofuran-3-one6272-26-056 % similar 6-Chloro-benzofuran-3-one3260-78-455 % similar 5-Chloro-benzofuran-3-one3261-05-055 % similar 2-Bromo-1-(2-methoxyphenyl)ethanone31949-21-053 % similar 2-(Carboxymethoxy)benzoic acid635-53-051 % similar 3,4-Dihydro-1H-2-benzopyran-4-one20924-56-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylglyoxal1074-12-0 5-Benzofuranol13196-10-6 2(3H)-Benzofuranone553-86-6 1,4-Benzenedicarboxaldehyde623-27-8 Isophthalaldehyde626-19-7 Phthalaldehyde643-79-8 Phthalide87-41-2

Elsewhere

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