chempirical

2-Ethylbenzoic acid

C9H10O2CAS 612-19-1150.18 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C9H10O2
Molar mass
150.18 g/mol
Exact mass
150.0681 Da
logP
1.95Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
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
612-19-1
SMILES
CCC1=CC=CC=C1C(=O)O
InChIKey
CGMMPMYKMDITEA-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3,(H,10,11)

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Work with 2-Ethylbenzoic 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

4-Ethyl-1-naphthoic acid91902-58-865 % similar 2-(Cyanomethyl)benzoic acid6627-91-464 % similar 2-(Bromomethyl)benzoic acid7115-89-163 % similar 2-(Bromomethyl)benzoic acid786593-22-463 % similar 2-(Chloromethyl)benzoic acid85888-81-963 % similar 2-(2-Phenylethyl)benzoic acid4890-85-161 % similar Homophthalic acid89-51-061 % similar Phthalic acid88-99-359 % similar

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

Same formula

Acetanisole100-06-1 4-Ethoxybenzaldehyde10031-82-0 Methyl phenylacetate101-41-7 (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-7 2-Phenylethyl formate104-62-1 Hydroxychavicol1126-61-0 3-Methylphenyl acetate122-46-3 Phenyl glycidyl ether122-60-1

Elsewhere

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