Cyclopentyl 4-methoxybenzoate
Basic information
- CAS
5421-01-2- Standard SMILES
COc1ccc(C(=O)OC2CCCC2)cc1- InChIKey
XVHVFWLEKAAUSQ-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- Cyclopentyl 4-methoxybenzoate
- IUPAC
- cyclopentyl 4-methoxybenzoate
Names & synonyms
5421-01-2Cyclopentyl 4-methoxybenzoateCyclopentyl 4-methoxybenzoate #SCHEMBL29055579DTXSID90969172NSC6628XVHVFWLEKAAUSQ-UHFFFAOYSA-NNSC-66284-Methoxybenzoic acid, cyclopentyl ester
Database identifiers
- CAS
5421-01-2- PubChem CID
- 221676
- DTXSID
DTXSID90969172
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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