| CAS Number | 2372-49-8 |
| Catalog Number | AG00BFB3(AGN-PC-0LK9CA) |
| Chemical Name | 3-ISOPROPYLISOXAZOLO[5,4-B]PYRIDINE-5-CARBOXYLIC ACID |
| IUPAC Name | 4-[(carbamoylamino)methyl]benzoic acid |
| InChI | InChI=1S/C9H10N2O3/c10-9(14)11-5-6-1-3-7(4-2-6)8(12)13/h1-4H,5H2,(H,12,13)(H3,10,11,14) |
| InChI Key | UZGDNWPABVDRGA-UHFFFAOYSA-N |
| MDL Number | MFCD07324841 |
| Molecular Formula | C9H10N2O3 |
| Molecular Weight | 194.1873 |
| SMILES | O=C(O)C1=CC=C(CNC(N)=O)C=C1 |
| Synonyms | 4-{[(aminocarbonyl)amino]methyl}benzoic acid,
4-[(carbamoylamino)methyl]benzoic acid,
2372-49-8,
UPCMLD00WJAB14,
AC1NLR1D,
AC1Q4ZWP,
4-(Ureidomethyl)benzoic acid,
SCHEMBL8138199,
CTK7D3610,
UZGDNWPABVDRGA-UHFFFAOYSA-N,
HMS1746N02,
ZINC4207136,
AKOS000200333,
MCULE-4266089132,
NE30890,
4-(aminocarbonylaminomethyl)benzoic acid,
EN300-13900,
Z94601363,
CID4962714,
3-isopropylisoxazolo[5,4-b]pyridine-5-carboxylic acid,
|
| Complexity | 222 |
| 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 | 3 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number