| CAS Number | 501646-90-8 |
| Catalog Number | AG00DO88(AGN-PC-0JOQ00) |
| Chemical Name | Benzoic acid, 3-[[(methylamino)carbonyl]amino]- (9CI) |
| IUPAC Name | 3-(methylcarbamoylamino)benzoic acid |
| InChI | InChI=1S/C9H10N2O3/c1-10-9(14)11-7-4-2-3-6(5-7)8(12)13/h2-5H,1H3,(H,12,13)(H2,10,11,14) |
| InChI Key | OZMAIYZLSWWAGU-UHFFFAOYSA-N |
| MDL Number | MFCD14595057 |
| Molecular Formula | C9H10N2O3 |
| Molecular Weight | 194.1873 |
| NSC Number | 204538 |
| SMILES | O=C(O)C1=CC=CC(NC(NC)=O)=C1 |
| Synonyms | 501646-90-8,
3-[(METHYLCARBAMOYL)AMINO]BENZOIC ACID,
3-(3-Methylureido)benzoic acid,
3-(methylcarbamoylamino)benzoic acid,
NSC204538,
Benzoic acid, 3-[[(methylamino)carbonyl]amino]- (9CI),
AC1L79QE,
SCHEMBL14289823,
CTK8I9000,
ZINC1739357,
MFCD14595057,
AKOS010441426,
NSC-204538,
AM806066,
CS-0039117,
CID306845,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.19g/mol |
| Monoisotopic Mass | 194.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number