chempirical

2-Ethenylbenzene-1,4-dicarboxylic acid

C10H8O4CAS 216431-29-7192.17 g/mol

Open in Covalent MOL file
OOHOOH
AlkeneCarboxylic acid

Properties

Molecular formula
C10H8O4
Molar mass
192.17 g/mol
Exact mass
192.0423 Da
logP
1.73Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
216431-29-7
SMILES
C=CC1=C(C=CC(=C1)C(=O)O)C(=O)O
InChIKey
CFCMNKJCKDXHHO-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O4/c1-2-6-5-7(9(11)12)3-4-8(6)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14)

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Names and synonyms

1 names
  • 1,4-Benzenedicarboxylic acid, 2-ethenyl-

Work with 2-Ethenylbenzene-1,4-dicarboxylic acid

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

Trimellitic acid528-44-959 % similar 2-Aminoterephthalic acid10312-55-754 % similar Bromoterephthalic acid586-35-653 % similar Benzophenonetetracarboxylic acid2479-49-451 % similar 4-Hydroxyisophthalic acid636-46-450 % similar 4-Bromo-1,3-benzenedicarboxylic acid6939-93-149 % similar 2,6-Naphthalenedicarboxylic acid1141-38-448 % similar 2-Anthraquinonecarboxylic acid117-78-247 % 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 Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate23405-32-5 3′,4′-Methylenedioxycinnamic acid2373-80-0 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid4743-58-2

Elsewhere

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