Basic information
- CAS
37874-97-8- Standard SMILES
O=C(O)c1ccc(CC2CCCC2)cc1- InChIKey
PKWZNPSKWPVPGF-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- p-(Cyclopentylmethyl)benzoic acid
- IUPAC
- 4-(cyclopentylmethyl)benzoic acid
- English name
- 4-(Cyclopentylmethyl)benzoic acid
- Molecular formula
- C13H16O2
- Molecular weight
- 204.26
Names & synonyms
4-(cyclopentylmethyl)benzoic acid37874-97-8BENZOIC ACID, 4-(CYCLOPENTYLMETHYL)-4-Cyclopentylmethylbenzoic acidW7YHJ6ZM7ZNSC 169033BRN 1951696p-(Cyclopentylmethyl)benzoic acidUNII-W7YHJ6ZM7ZNSC-169033DTXSID40191305RefChem:202465
Show more names
DTXCID101137964-Cyclopentylmethyl-benzoic acidNSC169033A1-11256
Database identifiers
- CAS
37874-97-8- PubChem CID
- 37846
- DTXSID
DTXSID40191305- UNII
- W7YHJ6ZM7Z
- Nikkaji
- J73.926J
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 348.2 · 348.2±21.0 °C(Predicted)
- Density
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- pka
- 4.36 · 4.36±0.10(Predicted)
- FDA UNII
- 7 YHJ6ZM7Z · W7YHJ6ZM7Z
Chemistry & industry
Suppliers1 total
天津林宸科技有限公司15122256084 15122256084 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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