2,5-Dimethylterephthalic acid

C₁₀H₁₀O₄CAS 6051-66-7194.19 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₀H₁₀O₄
Molar mass: 194.19 g/mol
Exact mass: 194.0579 Da
logP: 1.70Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6051-66-7

SMILES

CC1=CC(=C(C=C1C(=O)O)C)C(=O)O

InChIKey

FKUJGZJNDUGCFU-UHFFFAOYSA-N

InChI

InChI=1S/C10H10O4/c1-5-3-8(10(13)14)6(2)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)(H,13,14)

Weigh it out

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

Work with 2,5-Dimethylterephthalic 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

2,4,5-Trimethylbenzoic acid528-90-591 % similar 4,6-Dimethylisophthalic acid2790-09-286 % similar 4,5-Difluoro-2-methylbenzoic acid183237-86-770 % similar 2-Methyl-1,4-benzenedicarboxylic acid5156-01-464 % similar 2,5-Dimethylbenzoic acid610-72-064 % similar 2,4-Dimethylbenzoic acid611-01-864 % similar 2,4-Difluoro-5-methylbenzoic acid367954-99-262 % similar 5-Iodo-2-methylbenzoic acid54811-38-062 % 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 3-Acetoxy-O-toluic acid168899-58-9

Elsewhere

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