Butyric acid, p-methoxyphenyl ester
Basic information
- CAS
14617-95-9- Standard SMILES
CCCC(=O)Oc1ccc(OC)cc1- InChIKey
NMHGWSBHBWGJNC-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- Butyric acid, p-methoxyphenyl ester
- IUPAC
- (4-methoxyphenyl) butanoate
- English name
- ANISYLN-BUTYRATE
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
BUTYRIC ACID, p-METHOXYPHENYL ESTER14617-95-9DTXSID00163280RefChem:1080501DTXCID2085771(4-methoxyphenyl) butanoate4-Methoxyphenyl butyrate4-methoxyphenyl butanoatep-methoxyphenyl n-butyrateSCHEMBL357271SCHEMBL4644289SCHEMBL4644295
Show more names
ANISYLN-BUTYRATEButanoic acid p-methoxyphenyl esterButanoic acid 4-methoxyphenyl ester
Butyric acid, 4-methoxyphenyl esterAKOS002953752
Database identifiers
- CAS
14617-95-9- PubChem CID
- 26766
- DTXSID
DTXSID00163280- Nikkaji
- J104.016B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 267 °C · 267°C (estimate)
- Density
- 1.0989 · 1.0989 (rough estimate)
- refractive index
- 1.504 · 1.5040 (estimate)
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Related reactions
1 records
Compound notes
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