chempirical

Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate

C10H8O4CAS 23405-32-5192.17 g/mol

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EsterLactone

Properties

Molecular formula
C10H8O4
Molar mass
192.17 g/mol
Exact mass
192.0423 Da
logP
1.14Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
23405-32-5
SMILES
COC(=O)C1=CC2=C(C=C1)C(=O)OC2
InChIKey
DEVJBGUKNZVBFW-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O4/c1-13-9(11)6-2-3-8-7(4-6)5-14-10(8)12/h2-4H,5H2,1H3

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Names and synonyms

1 names
  • 5-Carbomethoxyphthalide

Work with Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate

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

1,3-Dihydro-1-oxo-5-isobenzofurancarboxylic acid4792-29-463 % similar Trimethyl trimellitate2459-10-160 % similar Dimethyl 3-aminoterephthalate5372-81-655 % similar 5-Bromophthalide64169-34-255 % similar 5-Aminophthalide65399-05-555 % similar 2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-354 % similar 1,4-Dimethyl 2-bromo-1,4-benzenedicarboxylate18643-86-254 % similar Dimethyl 2-fluoroterephthalate5292-47-754 % similar

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

Same formula

Noreugenin1013-69-0 5-Methoxybenzofuran-2-carboxylic acid10242-08-7 4-(2-Carboxyethenyl)benzoic acid19675-63-9 5,7-Dihydroxy-4-methylcoumarin2107-76-8 7,8-Dihydroxy-4-methylcoumarin2107-77-9 2-Ethenylbenzene-1,4-dicarboxylic acid216431-29-7 3′,4′-Methylenedioxycinnamic acid2373-80-0 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid4743-58-2

Elsewhere

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