Basic information
- CAS
37875-00-6- Standard SMILES
O=C(O)c1ccc(CC2CC3CCC2C3)cc1- InChIKey
KQTIDJXHIFRUJD-UHFFFAOYSA-N- Molecular formula
- C15H18O2
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.13067981
Names & identifiers
- Preferred name
- Benzoic acid, (p-(2-norbornanylemethyl))-
- IUPAC
- 4-(2-bicyclo[2.2.1]heptanylmethyl)benzoic acid
Names & synonyms
NSC 172984BRN 1967757BENZOIC ACID, (p-(2-NORBORNANYLEMETHYL))-37875-00-64-(2-(2.2.1)-Bicycloheptylmethyl)benzoic acidRefChem:326510NSC172984DTXSID70958908NSC-1729844-[(Bicyclo[2.2.1]heptan-2-yl)methyl]benzoic acid
Database identifiers
- CAS
37875-00-6- PubChem CID
- 37848
- DTXSID
DTXSID70958908- Nikkaji
- J83.478E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…