4-Carboxybenzeneacetic acid

C₉H₈O₄CAS 501-89-3180.16 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₉H₈O₄
Molar mass: 180.16 g/mol
Exact mass: 180.0423 Da
Melting point: 234–236 °C
logP: 1.01Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Identifiers

CAS number

501-89-3

SMILES

O=C(O)Cc1ccc(C(=O)O)cc1

InChIKey

DMEDOWYXHVUPMO-UHFFFAOYSA-N

InChI

InChI=1S/C9H8O4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)

Weigh it out

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

Names and synonyms

11 names

Benzeneacetic acid, 4-carboxy-
p-Toluic acid, α-carboxy-
(p-Carboxyphenyl)acetic acid
Homoterephthalic acid
p-Carboxy-α-toluic acid
p-(Carboxymethyl)benzoic acid
4-(Carboxymethyl)benzoic acid
α-Carboxy-p-toluic acid
4-Carboxyphenylacetic acid
NSC 2109
p-Carboxyphenoxyacetic acid

Work with 4-Carboxybenzeneacetic 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

1,4-Benzenediacetic acid7325-46-472 % similar Terephthalic acid100-21-060 % similar 4-Hydroxyphenylacetic acid156-38-760 % similar 4-(Hydroxymethyl)benzoic acid3006-96-060 % similar Phenylacetic acid103-82-259 % similar 4-(Bromomethyl)phenylacetic acid13737-36-558 % similar 4-(Chloromethyl)benzoic acid1642-81-558 % similar 4-Iodophenylacetic acid1798-06-758 % similar

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

Same formula

5-Acetylsalicylic acid13110-96-8 p-Hydroxyphenylpyruvic acid156-39-8 Monomethyl terephthalate1679-64-7 (4-Formylphenoxy)acetic acid22042-71-3 P-Acetoxybenzoic acid2345-34-8 Methyl 3-formyl-4-hydroxybenzoate24589-99-9 Phenylmalonic acid2613-89-0 1,3-Benzodioxole-5-acetic acid2861-28-1

Elsewhere

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