Basic information
- CAS
77201-14-0- Standard SMILES
CCCCCOC(=O)c1cccc(OC)c1- InChIKey
UUZIQXXDQOPJQU-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- Benzoic acid, 3-methoxy-, pentyl ester
- IUPAC
- pentyl 3-methoxybenzoate
Names & synonyms
Benzoic acid, 3-methoxy-, pentyl ester77201-14-0RefChem:327230Pentyl 3-methoxybenzoatem-Methoxybenzoic acid, pentyl esterPentyl 3-methoxybenzoate #SCHEMBL22497787UUZIQXXDQOPJQU-UHFFFAOYSA-NDTXSID101283836
Database identifiers
- CAS
77201-14-0- PubChem CID
- 522650
- DTXSID
DTXSID101283836
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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