| CAS Number | 1297546-74-7 |
| Catalog Number | AG019R0O(AGN-PC-0WOEP4) |
| Chemical Name | 4H,6H,7H-Pyrano[3,4-d][1,2]oxazole-3-carboxylic acid |
| IUPAC Name | 6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxylic acid |
| InChI | InChI=1S/C7H7NO4/c9-7(10)6-4-3-11-2-1-5(4)12-8-6/h1-3H2,(H,9,10) |
| InChI Key | KYLRPSOCSSHQKY-UHFFFAOYSA-N |
| MDL Number | MFCD23725732 |
| Molecular Formula | C7H7NO4 |
| Molecular Weight | 169.1348 |
| SMILES | O1N=C(C2=C1CCOC2)C(=O)O |
| Synonyms | 4H,6H,7H-pyrano[3,4-d][1,2]oxazole-3-carboxylic acid,
1297546-74-7,
SCHEMBL1811469,
KYLRPSOCSSHQKY-UHFFFAOYSA-N,
ZINC82401673,
AKOS017527961,
F2145-0939,
Z2671043803,
6,7-dihydro-4H-pyrano[3,4-d]isoxazole-3-carboxylic acid,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.136g/mol |
| Monoisotopic Mass | 169.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number