Methyl 2-acetyl-6-aminobenzoate
Basic information
- CAS
179678-23-0- Standard SMILES
COC(=O)c1c(N)cccc1C(C)=O- InChIKey
NIARQBSHAIEZIP-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
Names & identifiers
- Preferred name
- Methyl 2-acetyl-6-aminobenzoate
- IUPAC
- methyl 2-acetyl-6-aminobenzoate
- English name
- Benzoic acid, 2-acetyl-6-amino-, methyl ester (9CI)
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
methyl 2-acetyl-6-aminobenzoate179678-23-0SCHEMBL14589543Benzoic acid, 2-acetyl-6-amino-, methyl esterBenzoic acid, 2-acetyl-6-amino-, methyl ester (9CI)
Database identifiers
- CAS
179678-23-0
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 62 · 62-64 °C
- Boiling point
- 362 · 362.0±27.0 °C(Predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- pka
- 1.01 · 1.01±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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