2-[(5-Methyl-2-furoyl)amino]benzoic acid
Basic information
- CAS
423729-45-7- Standard SMILES
Cc1ccc(C(=O)Nc2ccccc2C(=O)O)o1- InChIKey
JWHIXBPRNNMOHQ-UHFFFAOYSA-N- Molecular formula
- C13H11NO4
- Average molar mass
- 245.23 g/mol
- Monoisotopic mass
- 245.06880783
Names & identifiers
- Preferred name
- 2-[(5-Methyl-2-furoyl)amino]benzoic acid
- IUPAC
- 2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
- English name
- CHEMBRDG-BB 5923387
- Molecular formula
- C13H11NO4
- Molecular weight
- 245.23
Names & synonyms
423729-45-72-[(5-METHYL-2-FUROYL)AMINO]BENZOIC ACID2-[(5-methylfuran-2-carbonyl)amino]benzoic Acid2-(5-Methylfuran-2-carboxamido)benzoic acidCambridge id 5923387Oprea1_568954DTXSID60358099MFCD00298104AKOS005873837BS-376662-[(5-Methyl-2-furoyl)amino]benzoicacid2-(5-Methylfuran-2-carboxamido)benzoicacid
Show more names
CHEMBRDG-BB 5923387Benzoic acid, 2-[[(5-methyl-2-furanyl)carbonyl]amino]-2-[(5-methyl-2-furoyl)amino]benzoic acid(SALTDATA: FREE)
DB-192193CS-0364690AG-205/32243048SR-01000223406SR-01000223406-1
Database identifiers
- CAS
423729-45-7- PubChem CID
- 877289
- DTXSID
DTXSID60358099
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 343.8 · 343.8±37.0 °C(Predicted)
- Density
- 1.363 · 1.363±0.06 g/cm3(Predicted)
- pka
- 3.48 · 3.48±0.36(Predicted)
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Related reactions
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Compound notes
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