Basic information
- CAS
314746-09-3- Standard SMILES
Cc1occc1C(=O)Nc1ccc(C(=O)O)cc1- InChIKey
VMBBGDKDZZCNFS-UHFFFAOYSA-N- Molecular formula
- C13H11NO4
- Average molar mass
- 245.23 g/mol
- Monoisotopic mass
- 245.06880783
Names & identifiers
- Preferred name
- 4-[(2-Methyl-3-furoyl)amino]benzoic acid
- IUPAC
- 4-[(2-methylfuran-3-carbonyl)amino]benzoic acid
- English name
- 4-[(2-methyl-3-furoyl)amino]benzoic acid
- Molecular formula
- C13H11NO4
- Molecular weight
- 245.23
Names & synonyms
314746-09-34-[(2-METHYL-3-FUROYL)AMINO]BENZOIC ACID4-(2-Methylfuran-3-carboxamido)benzoic acid4-[(2-methylfuran-3-carbonyl)amino]benzoic acidCBMicro_030420Oprea1_844690DTXSID40354655AKOS000131033BIM-0030473.P001DB-3053404-[(2-Methyl -3-furoyl )amino]benzoic acidAKOS BBV-012133
Show more names
Benzoic acid, 4-[[(2-methyl-3-furanyl)carbonyl]amino]-4-[(2-methyl-3-furoyl)amino]benzoic acid(SALTDATA: FREE)
Database identifiers
- CAS
314746-09-3- PubChem CID
- 778182
- DTXSID
DTXSID40354655
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Boiling point
- 348.9 · 348.9±37.0 °C(Predicted)
- Density
- 1.363 · 1.363±0.06 g/cm3(Predicted)
- pka
- 4.25 · 4.25±0.10(Predicted)
Chemistry & industry
Suppliers2 total
济南思考化学有限公司0531-0000 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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