Basic information
- CAS
298686-55-2- Standard SMILES
Cc1occc1C(=O)Nc1cccc(C(=O)O)c1- InChIKey
ROJXTCDVXKNYKB-UHFFFAOYSA-N- Molecular formula
- C13H11NO4
- Average molar mass
- 245.23 g/mol
- Monoisotopic mass
- 245.06880783
Names & identifiers
- Preferred name
- 3-[(2-Methyl-3-furoyl)amino]benzoic acid
- IUPAC
- 3-[(2-methylfuran-3-carbonyl)amino]benzoic acid
- English name
- 3-[(2-methyl-3-furoyl)amino]benzoic acid
- Molecular formula
- C13H11NO4
- Molecular weight
- 245.23
Names & synonyms
3-[(2-methyl-3-furoyl)amino]benzoic acid298686-55-23-(2-Methylfuran-3-carboxamido)benzoic acidMFCD019260273-[(2-methylfuran-3-carbonyl)amino]benzoic acidCambridge id 7039825Oprea1_654002MLS0001230603-[(2-Methyl-furan-3-carbonyl)-amino]-benzoic acidCHEMBL1569304DTXSID70354663HMS2457B24
Show more names
Benzoic acid, 3-[[(2-methyl-3-furanyl)carbonyl]amino]-3-[(2-methyl-3-furoyl)amino]benzoic acid(SALTDATA: FREE)
AKOS000147332BS-37574SMR0001237143-[(2-Methyl-3-furoyl)amino]benzoicacid3-(2-Methylfuran-3-carboxamido)benzoicacidDB-193659AG-205/13358074F315306
Database identifiers
- CAS
298686-55-2- PubChem CID
- 778282
- DTXSID
DTXSID70354663- ChEMBL
CHEMBL1569304
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
- 331
Physicochemical properties
- Boiling point
- 352.8 · 352.8±37.0 °C(Predicted)
- Density
- 1.363 · 1.363±0.06 g/cm3(Predicted)
- pka
- 4.04 · 4.04±0.10(Predicted)
Chemistry & industry
Suppliers1 total
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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