Basic information
- CAS
145440-93-3- Standard SMILES
Cc1cc(C(=O)Nc2c(C)cccc2C(=O)O)no1- InChIKey
GGPLUNVJAKXXJD-UHFFFAOYSA-N- Molecular formula
- C13H12N2O4
- Average molar mass
- 260.24 g/mol
- Monoisotopic mass
- 260.07970687
Names & identifiers
- Preferred name
- Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-
- IUPAC
- 3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
- English name
- 3-methyl-2-[(5-methyloxazole-3-carbonyl)amino]benzoic acid
- Molecular formula
- C13H12N2O4
- Molecular weight
- 260.25
Names & synonyms
3-Methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)benzoic acidBRN 5820907145440-93-3Benzoic acid, 3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)-RefChem:3272353-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acidDTXSID009325993-Methyl-2-(5-methyl-1,2-oxazole-3-carboxamido)benzoic acid3-methyl-2-[(5-methyloxazole-3-carbonyl)amino]benzoic acidBenzoic acid, 3-methyl-2-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-
Database identifiers
- CAS
145440-93-3- PubChem CID
- 3073014
- DTXSID
DTXSID00932599- Nikkaji
- J516.548B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 361
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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