3-Isopropoxybenzoic acid

C₁₀H₁₂O₃CAS 60772-67-0180.20 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₁₂O₃
Molar mass: 180.20 g/mol
Exact mass: 180.0786 Da
logP: 2.17Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

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

60772-67-0

SMILES

CC(C)OC1=CC=CC(=C1)C(=O)O

InChIKey

QPVBLLQBUNVSJT-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O3/c1-7(2)13-9-5-3-4-8(6-9)10(11)12/h3-7H,1-2H3,(H,11,12)

Weigh it out

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

Work with 3-Isopropoxybenzoic 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-(Difluoromethoxy)benzoic acid4837-19-868 % similar 4-(1-Methylethoxy)benzoic acid13205-46-466 % similar 3-Methoxybenzoic acid586-38-964 % similar 3-Phenoxybenzoic acid3739-38-661 % similar 3-Ethoxybenzoic acid621-51-259 % similar 3-(Acetyloxy)benzoic acid6304-89-859 % similar Isophthalic acid121-91-556 % similar 3-(Trifluoromethoxy)benzoic acid1014-81-955 % similar

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

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2',5'-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook