chempirical

2H-1-Benzopyran-3-carboxaldehyde

C10H8O2CAS 51593-69-2160.17 g/mol

Open in Covalent MOL file
OO
AldehydeAlkeneEther

Properties

Molecular formula
C10H8O2
Molar mass
160.17 g/mol
Exact mass
160.0524 Da
Melting point
70 °C
logP
1.66Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
51593-69-2
SMILES
O=CC1=Cc2ccccc2OC1
InChIKey
RISKINCQRSLFRK-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-6H,7H2

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Names and synonyms

2 names
  • 2H-Chromene-3-carboxaldehyde
  • 2H-Chromene-3-carbaldehyde

Work with 2H-1-Benzopyran-3-carboxaldehyde

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

(2-Formylphenoxy)acetic acid6280-80-448 % similar 2-Ethoxybenzaldehyde613-69-442 % similar 2-(Benzyloxy)benzaldehyde5896-17-341 % similar 2-(2-Hydroxyethoxy)benzaldehyde22042-72-440 % similar 2-(Allyloxy)benzaldehyde28752-82-140 % similar Benzodioxole-4-carboxaldehyde7797-83-338 % similar 1,2-Phenylenedioxydiacetic acid5411-14-338 % similar 3-(2-Ethoxyphenyl)-2-propenoic acid69038-81-935 % similar

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

Same formula

3-Ethynyl-4-methyl-benzoic acid1001203-03-7 1,3-Dihydroxynaphthalene132-86-5 2-Acetylbenzofuran1646-26-0 7-Methylcoumarin2445-83-2 1,8-Dihydroxynaphthalene569-42-6 1,4-Naphthalenediol571-60-8 1,2-Dihydroxynaphthalene574-00-5 1,7-Dihydroxynaphthalene575-38-2

Elsewhere

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