Basic information
- CAS
175204-18-9- Standard SMILES
COC(=O)c1ccc(NC(C)=O)c(NC(C)=O)c1- InChIKey
HGBVBCIDBDCXPQ-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.09535693
Names & identifiers
- Preferred name
- Methyl 3,4-diacetamidobenzoate
- IUPAC
- methyl 3,4-diacetamidobenzoate
- English name
- METHYL 3,4-DI(ACETYLAMINO)BENZOATE
- Molecular formula
- C12H14N2O4
- Molecular weight
- 250.25
Names & synonyms
methyl 3,4-diacetamidobenzoate175204-18-9methyl 3,4-di(acetylamino)benzoateBenzoic acid, 3,4-bis(acetylamino)-, methyl esterMaybridge1_005993Oprea1_543931HMS558I09DTXSID00381760CCG-48088AKOS015908750METHYL3,4-DI(ACETYLAMINO)BENZOATEDB-004572
Show more names
SR-01000637659-1
Database identifiers
- CAS
175204-18-9- PubChem CID
- 2781237
- DTXSID
DTXSID00381760
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Boiling point
- 524.7 · 524.7±45.0 °C(Predicted)
- Density
- 1.293 · 1.293±0.06 g/cm3(Predicted)
- pka
- 13.98 · 13.98±0.70(Predicted)
Chemistry & industry
Suppliers3 total
赛纳斯特化学（欢迎点击联系）021-60343070
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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