chempirical

1,2-Benzenediacetic acid

C10H10O4CAS 7500-53-0194.19 g/mol

Open in Covalent MOL file
OHOOHO
Carboxylic acid

Properties

Molecular formula
C10H10O4
Molar mass
194.19 g/mol
Exact mass
194.0579 Da
Melting point
150–152 °C
logP
0.94Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
7500-53-0
SMILES
O=C(O)Cc1ccccc1CC(=O)O
InChIKey
MMEDJBFVJUFIDD-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O4/c11-9(12)5-7-3-1-2-4-8(7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)

Weigh it out

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

Names and synonyms

7 names
  • o-Benzenediacetic acid
  • o-Phenylenediacetic acid
  • 1,2-Phenylenediacetic acid
  • NSC 401681
  • (2-Carboxymethylphenyl)acetic acid
  • 2,2′-(1,2-Phenylene)diacetic acid
  • 2-[2-(Carboxymethyl)phenyl]acetic acid

Work with 1,2-Benzenediacetic 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

2-Aminomethylphenylacetic acid40851-65-877 % similar 2-Bromophenylacetic acid18698-97-073 % similar (2-Chlorophenyl)acetic acid2444-36-270 % similar 2-Aminophenylacetic acid3342-78-770 % similar (2-Fluorophenyl)acetic acid451-82-170 % similar (2-Methylphenyl)acetic acid644-36-070 % similar 1-Naphthaleneacetic acid86-87-368 % similar 2-Cyanobenzeneacetic acid18698-99-266 % similar

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

Same formula

1,3-Dihydroxybenzene diacetate108-58-7 Ferulic acid1135-24-6 1,4-Diacetoxybenzene1205-91-0 Dimethyl terephthalate120-61-6 Dimethyl phthalate131-11-3 Dimethyl isophthalate1459-93-4 Methyl 5-acetylsalicylate16475-90-4 Kakuol18607-90-4

Elsewhere

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