| CAS Number | 400786-17-6 |
| Catalog Number | AG01A8G5 |
| Chemical Name | 4,5-Dimethoxy-2-([(propan-2-yl)carbamoyl]amino)benzoic acid |
| IUPAC Name | 4,5-dimethoxy-2-(propan-2-ylcarbamoylamino)benzoic acid |
| InChI | InChI=1S/C13H18N2O5/c1-7(2)14-13(18)15-9-6-11(20-4)10(19-3)5-8(9)12(16)17/h5-7H,1-4H3,(H,16,17)(H2,14,15,18) |
| InChI Key | BLIJVBSFGOHYLA-UHFFFAOYSA-N |
| MDL Number | MFCD01949222 |
| Molecular Formula | C13H18N2O5 |
| Molecular Weight | 282.2924 |
| SMILES | COC1=C(OC)C=C(C(O)=O)C(NC(NC(C)C)=O)=C1 |
| Synonyms | 4,5-dimethoxy-2-{[(propan-2-yl)carbamoyl]amino}benzoic acid,
400786-17-6,
AC1Q46JC,
ZINC20209157,
AKOS009222272,
MCULE-1952038335,
NE32253,
EN300-61533,
Z234895523,
4,5-dimethoxy-2-([(propan-2-yl)carbamoyl]amino)benzoic acid,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.296g/mol |
| Monoisotopic Mass | 282.122g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 96.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number