Methyl 4-(acetyloxy)-3-methoxybenzoate
Basic information
- CAS
35400-19-2- Standard SMILES
COC(=O)c1ccc(OC(C)=O)c(OC)c1- InChIKey
BHQRCCUOSHDJQC-UHFFFAOYSA-N- Molecular formula
- C11H12O5
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.06847348
Overview
Methyl 4-acetoxy-3-methoxybenzoate is a benzoate ester that is methyl benzoate substituted by an acetoxy group at position 4 and a methoxy group at position 3 respectively. It is a member of phenyl acetates, a monomethoxybenzene and a benzoate ester. It is functionally related to a methyl vanillate.
Names & identifiers
- Preferred name
- Methyl 4-(acetyloxy)-3-methoxybenzoate
- IUPAC
- methyl 4-acetyloxy-3-methoxybenzoate
- English name
- 4-Acetoxy-3-methoxybenzoic acid methyl ester
- Molecular weight
- 0
Names & synonyms
Methyl 4-(acetyloxy)-3-methoxybenzoate35400-19-2methyl 4-acetyloxy-3-methoxybenzoate4-Acetoxy-3-methoxybenzoic acid methyl esterMethyl 3-methoxy-4-acetoxybenzoatebmse0101074-acetoxy-3-methoxy methyl benzoateAC1LCM924-(acetyloxy)-3-methoxybenzoic acid methyl esterBenzoic acid, 4-(acetyloxy)-3-methoxy-, methyl esterCHEBI:86557DTXSID60345227
Show more names
BHQRCCUOSHDJQC-UHFFFAOYSA-Nmethyl 4-acetoxy-3-methoxybenzoatemethyl 4-acetoxy-3-methoxy-benzoatemethyl 4-acetyloxy-3-methoxy-benzoateMethyl 4-(acetyloxy)-3-methoxybenzoate #Q27159242
Database identifiers
- CAS
35400-19-2- PubChem CID
- 602779
- DTXSID
DTXSID60345227- ChEBI
CHEBI:86557- Nikkaji
- J104.591A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 263
Chemistry & industry
Additional notes
DefinitionChEBI: Methyl 4-acetoxy-3-methoxybenzoate is a benzoate ester that is methyl benzoate substituted by an acetoxy group at position 4 and a methoxy group at position 3 respectively. It is a benzoate ester, a monomethoxybenzene and a member of phenyl acetates. It is functionally related to a methyl vanillate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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