Basic information
- CAS
6938-46-1- Standard SMILES
CCCCCOC(=O)c1ccc(OC)cc1- InChIKey
DNJKWCMASVISFH-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- Benzoic acid, 4-methoxy-, pentyl ester
- IUPAC
- pentyl 4-methoxybenzoate
- English name
- Benzoic acid, 4-Methoxy-, pentyl ester
- Molecular formula
- C13H18O3
- Molecular weight
- 222.28
Names & synonyms
Benzoic acid, 4-methoxy-, pentyl esterRefChem:566024Amyl anisatePentyl 4-methoxybenzoateAnisic acid, pentyl ester6938-46-1n-Amyl anisoateBenzoic acid,4-methoxy-, pentyl esterPentyl 4-methoxybenzoate #SCHEMBL1987834DTXSID80989167NSC53965
Show more names
p-Methoxybenzoic acid, pentyl esterNSC-53965DS-010464
Database identifiers
- CAS
6938-46-1- PubChem CID
- 243793
- DTXSID
DTXSID80989167- Nikkaji
- J2.666.560D
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
- 195
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzoic acid, 4-methoxy-, pentyl ester
Chemistry & industry
Suppliers1 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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