chempirical

3-Benzyloxy-cyclobutanecarboxylic acid

C12H14O3CAS 4958-02-5206.24 g/mol

Open in Covalent MOL file
OOHO
Carboxylic acidEther

Properties

Molecular formula
C12H14O3
Molar mass
206.24 g/mol
Exact mass
206.0943 Da
logP
2.07Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

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
4958-02-5
SMILES
C1C(CC1OCC2=CC=CC=C2)C(=O)O
InChIKey
YNNOFVDQHAHVFG-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O3/c13-12(14)10-6-11(7-10)15-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)

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Names and synonyms

1 names
  • 3-(Benzyloxy)cyclobutane-1-carboxylic acid

Work with 3-Benzyloxy-cyclobutanecarboxylic 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

(R)-(+)-2-Benzyloxypropionic acid100836-85-961 % similar 3-Benzyloxycyclobutanone30830-27-458 % similar (2S,3R)-2-Amino-3-(benzyloxy)butanoic acid4378-10-353 % similar 1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-753 % similar Benzylsuccinic acid36092-42-953 % similar (2S)-2-(Phenylmethyl)butanedioic acid3972-36-953 % similar Benzylsuccinic acid884-33-353 % similar 1-N-Cbz-pyrrolidine-3-carboxylic acid188527-21-152 % similar

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

Same formula

3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone13575-75-2 Ethyl 4-(3-oxopropyl)benzoate151864-81-2 Ethyl (E)-4-methoxycinnamate24393-56-4 3-Oxo-3-P-tolyl-propionic acid ethyl ester27835-00-3 3-Oxo-3-M-tolyl-propionic acid ethyl ester33166-79-9 4-(p-Acetoxyphenyl)-2-butanone3572-06-3 5-Benzoylvaleric acid4144-62-1 Benzyl 3-hydroxycyclobutane-1-carboxylate480449-99-8

Elsewhere

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