Ethyl p-acetoxybenzoate
Basic information
- CAS
13031-45-3- Standard SMILES
CCOC(=O)c1ccc(OC(C)=O)cc1- InChIKey
ACGYGMKFCVDVHS-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Names & identifiers
- Preferred name
- Ethyl p-acetoxybenzoate
- IUPAC
- ethyl 4-acetyloxybenzoate
- English name
- Ethyl-4-acetoxybenzoate
- Molecular formula
- C11H12O4
- Molecular weight
- 208.21
Names & synonyms
13031-45-3Ethyl p-acetoxybenzoateDTXSID80372878RefChem:1085083DTXCID70323910Ethyl 4-acetoxybenzoateETHYL-4-ACETOXYBENZOATEBenzoic acid,4-(acetyloxy)-, ethyl ester4-(ACETYLOXY)-BENZOIC ACID ETHYL ESTER4-acetoxy-benzoic acid ethyl esterethyl 4-acetyloxybenzoateETHYL 4-(ACETYLOXY)BENZOATE
Show more names
Benzoic acid, 4-(acetyloxy)-, ethyl ester
SCHEMBL11769354-(ethoxycarbonyl)phenyl acetateMFCD01444550AKOS004907073F78541
Database identifiers
- CAS
13031-45-3- PubChem CID
- 2752083
- DTXSID
DTXSID80372878- Nikkaji
- J821.612F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 302.7 · 302.7±25.0 °C(Predicted)
- Density
- 1.147 · 1.147±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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