chempirical

Uvitic acid

C9H8O4CAS 499-49-0180.16 g/mol

Open in Covalent MOL file
OOHOOH
Carboxylic acid

Properties

Molecular formula
C9H8O4
Molar mass
180.16 g/mol
Exact mass
180.0423 Da
Melting point
298 °C
logP
1.39Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
499-49-0
SMILES
Cc1cc(C(=O)O)cc(C(=O)O)c1
InChIKey
PMZBHPUNQNKBOA-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)

Weigh it out

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

Names and synonyms

5 names
  • 1,3-Benzenedicarboxylic acid, 5-methyl-
  • Isophthalic acid, 5-methyl-
  • 5-Methyl-1,3-benzenedicarboxylic acid
  • 5-Methylisophthalic acid
  • NSC 41436

Work with Uvitic 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

3,5-Dimethylbenzoic acid499-06-991 % similar 3-Fluoro-5-methylbenzoic acid518070-19-471 % similar Trimesic acid554-95-071 % similar M-Toluic acid99-04-764 % similar 5-Methylnicotinic acid3222-49-962 % similar 5-Bromo-1,3-benzenedicarboxylic acid23351-91-958 % similar 5-Hydroxyisophthalic acid618-83-758 % similar 3,5-Dicarboxyaniline99-31-056 % 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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