Basic information
- CAS
66016-21-5- Standard SMILES
O=C(O)C1CC(Cc2ccccc2)C1- InChIKey
FUQDLNLCZMLBAD-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- Cyclobutanecarboxylic acid, 3-benzyl-
- IUPAC
- 3-benzylcyclobutane-1-carboxylic acid
- English name
- 3-Benzylcyclobutanecarboxylic acid
- Molecular formula
- C12H14O2
- Molecular weight
- 190.24
Names & synonyms
3-Benzyl-cyclobutanecarboxylic acid3-(Phenylmethyl)cyclobutanecarboxylic acidCYCLOBUTANECARBOXYLIC ACID, 3-BENZYL-BRN 2444867Cyclobutanecarboxylic acid, 3-(phenylmethyl)-DTXSID20216227RefChem:334927DTXCID20138718Cyclobutanecarboxylic acid, 3-(phenylmethyl)-(9CI)3-Benzylcyclobutanecarboxylic acid66016-21-53-benzylcyclobutane-1-carboxylic acid
Show more names
3-benzylcyclobutane-1-carboxylic acid, Mixture of diastereomers
3-BenzylcyclobutanecarboxylicacidSCHEMBL7810455RCA01621AKOS023363998DB-090187EN300-1215609F2167-7309
Database identifiers
- CAS
66016-21-5- PubChem CID
- 47801
- DTXSID
DTXSID20216227- Nikkaji
- J57.853C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
郑州萃智医药科技有限公司19943855286 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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