Methyl 3-hydroxy-3-phenylcyclobutane-1-carboxylate
Basic information
- CAS
69584-45-8- Standard SMILES
COC(=O)C1CC(O)(c2ccccc2)C1- InChIKey
NIOCOUPGHASQHO-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- Methyl 3-hydroxy-3-phenylcyclobutane-1-carboxylate
- IUPAC
- methyl 3-hydroxy-3-phenylcyclobutane-1-carboxylate
- English name
- methyl cis-3-hydroxy-3-phenyl-cyclobutanecarboxylate
- Molecular formula
- C12H14O3
- Molecular weight
- 206.24
Names & synonyms
1803144-05-9methyl 3-hydroxy-3-phenylcyclobutane-1-carboxylate69584-45-8METHYL 3-HYDROXY-3-PHENYLCYCLOBUTANECARBOXYLATEmethyl cis-3-hydroxy-3-phenyl-cyclobutanecarboxylateMFCD29059228trans-Methyl 3-hydroxy-3-phenylcyclobutanecarboxylatemethyl (1s,3s)-3-hydroxy-3-phenylcyclobutane-1-carboxylateMethylcis-3-hydroxy-3-phenyl-cyclobutanecarboxylatemethyl 3-hydroxy-3-phenyl-cyclobutanecarboxylateSCHEMBL16993537DTXSID20697476
Show more names
Cyclobutanecarboxylic acid, 3-hydroxy-3-phenyl-, methyl ester, cis-
MFCD30471290XH0519SB22484AS-94469PS-16376SY321809SY378861DB-114709
Database identifiers
- CAS
69584-45-8- PubChem CID
- 53418992
- DTXSID
DTXSID20697476- Nikkaji
- J1.053.039C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 322 · 322.0±42.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- pka
- 13.92 · 13.92±0.40(Predicted)
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Compound notes
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