p-Anisic acid, nonyl ester
Basic information
- CAS
55469-25-5- Standard SMILES
CCCCCCCCCOC(=O)c1ccc(OC)cc1- InChIKey
VJHRENOBIICHMY-UHFFFAOYSA-N- Molecular formula
- C17H26O3
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.18819469
Names & identifiers
- Preferred name
- p-Anisic acid, nonyl ester
- IUPAC
- nonyl 4-methoxybenzoate
- English name
- 4-Methoxybenzoic acid nonyl ester
- Molecular formula
- C17H26O3
- Molecular weight
- 278.39
Names & synonyms
p-Anisic acid, nonyl ester55469-25-5Benzoic acid, 4-methoxy-, nonyl esterNonyl 4-methoxybenzoate4-Methoxybenzoic acid nonyl esterNSC21889Nonyl 4-methoxybenzoate #SCHEMBL27802259DTXSID90281528VJHRENOBIICHMY-UHFFFAOYSA-NNSC-21889DB-316651
Database identifiers
- CAS
55469-25-5- PubChem CID
- 228767
- DTXSID
DTXSID90281528- Nikkaji
- J130.537I
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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