| CAS Number | 143469-00-5 |
| Catalog Number | AG019LZ3(AGN-PC-003BG9) |
| Chemical Name | 2-[(5-methyl-1,2-oxazol-4-yl)formamido]acetic acid |
| IUPAC Name | 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]acetic acid |
| InChI | InChI=1S/C7H8N2O4/c1-4-5(2-9-13-4)7(12)8-3-6(10)11/h2H,3H2,1H3,(H,8,12)(H,10,11) |
| InChI Key | WTYRDMBLJXBKGB-UHFFFAOYSA-N |
| MDL Number | MFCD09047765 |
| Molecular Formula | C7H8N2O4 |
| Molecular Weight | 184.1494 |
| SMILES | CC1=C(C(NCC(O)=O)=O)C=NO1 |
| Synonyms | 2-[(5-methyl-1,2-oxazol-4-yl)formamido]acetic acid,
143469-00-5,
{[(5-methylisoxazol-4-yl)carbonyl]amino}acetic acid,
AC1Q2EVE,
CTK6C5772,
ZINC12879690,
AKOS000131432,
MCULE-1910992772,
NE39684,
EN300-33428,
Z359419702,
([(5-methylisoxazol-4-yl)carbonyl]amino)acetic acid, AldrichCPR,
([(5-methylisoxazol-4-yl)carbonyl]amino)acetic acid,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.151g/mol |
| Monoisotopic Mass | 184.048g/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