Methyl 3-acetamidobenzoate
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Basic information
- CAS
52189-36-3- Standard SMILES
COC(=O)c1cccc(NC(C)=O)c1- InChIKey
BMBOHBXLLAKPHP-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- Methyl 3-acetamidobenzoate
- IUPAC
- methyl 3-acetamidobenzoate
- English name
- 3-Acetylamino-benzoic acid methyl ester
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
methyl 3-acetamidobenzoate52189-36-3Methyl 3-(acetylamino)benzoate3-ACETYLAMINO-BENZOIC ACID METHYL ESTERBenzoic acid, 3-(acetylamino)-, methyl esterMFCD00072168methyl 3-acetylaminobenzoatemethyl3-acetamidobenzoateMaybridge3_001213SCHEMBL863169DTXSID80343785Methyl 3-(acetylamino)benzoate #
Show more names
methyl 5-acetylaminobenzoate3-Acetylamino-benzoic acid methyl
HMS1434H03AKOS008906809IDI1_012600DB-304440CS-0347290F78989AG-205/01784021F741459
Database identifiers
- CAS
52189-36-3- PubChem CID
- 592170
- DTXSID
DTXSID80343785- Nikkaji
- J461.267A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 136 ℃ · 136℃
- Density
- 1.204 · 1.204
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Related reactions
1 records
Compound notes
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