| CAS Number | 1250965-67-3 |
| Catalog Number | AG01AI7O |
| Chemical Name | 2-[(dimethylcarbamoyl)amino]-5-methylbenzoic acid |
| IUPAC Name | 2-(dimethylcarbamoylamino)-5-methylbenzoic acid |
| InChI | InChI=1S/C11H14N2O3/c1-7-4-5-9(8(6-7)10(14)15)12-11(16)13(2)3/h4-6H,1-3H3,(H,12,16)(H,14,15) |
| InChI Key | ABCLDHGRVRRQTH-UHFFFAOYSA-N |
| MDL Number | MFCD14596124 |
| Molecular Formula | C11H14N2O3 |
| Molecular Weight | 222.2405 |
| SMILES | CN(C(NC1=C(C(O)=O)C=C(C)C=C1)=O)C |
| Synonyms | 2-[(dimethylcarbamoyl)amino]-5-methylbenzoic acid,
1250965-67-3,
ZINC40558889,
AKOS010443403,
MCULE-1986657256,
NE45303,
EN300-76967,
Z1259339926,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.244g/mol |
| Monoisotopic Mass | 222.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number