| CAS Number | 1146299-29-7 |
| Catalog Number | AG019WBP |
| Chemical Name | 3-[(Cyclopropylcarbamoyl)amino]benzoic acid |
| IUPAC Name | 3-(cyclopropylcarbamoylamino)benzoic acid |
| InChI | InChI=1S/C11H12N2O3/c14-10(15)7-2-1-3-9(6-7)13-11(16)12-8-4-5-8/h1-3,6,8H,4-5H2,(H,14,15)(H2,12,13,16) |
| InChI Key | GSWYSHNMCULROB-UHFFFAOYSA-N |
| MDL Number | MFCD11868512 |
| Molecular Formula | C11H12N2O3 |
| Molecular Weight | 220.2246 |
| SMILES | OC(C1=CC(NC(NC2CC2)=O)=CC=C1)=O |
| Synonyms | 3-[(cyclopropylcarbamoyl)amino]benzoic acid,
3-(3-cyclopropylureido)benzoic acid,
1146299-29-7,
AC1Q732B,
CTK7G6739,
BBL032058,
STL316124,
ZINC32500449,
AKOS010198691,
MCULE-3972657897,
NE33966,
EN300-51363,
Z744593006,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.228g/mol |
| Monoisotopic Mass | 220.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number