| CAS Number | 1344086-34-5 |
| Catalog Number | AG01A6IZ(AGN-PC-0WO8WR) |
| Chemical Name | 5-Isopropoxypyrazine-2-carboxylic acid |
| IUPAC Name | 5-propan-2-yloxypyrazine-2-carboxylic acid |
| InChI | InChI=1S/C8H10N2O3/c1-5(2)13-7-4-9-6(3-10-7)8(11)12/h3-5H,1-2H3,(H,11,12) |
| InChI Key | VJNSNJLSAALFQE-UHFFFAOYSA-N |
| MDL Number | MFCD20284630 |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.1766 |
| SMILES | CC(OC1=NC=C(C(O)=O)N=C1)C |
| Synonyms | 5-Isopropoxypyrazine-2-carboxylic acid,
1344086-34-5,
5-(propan-2-yloxy)pyrazine-2-carboxylic acid,
SCHEMBL9947622,
VJNSNJLSAALFQE-UHFFFAOYSA-N,
ZINC70582541,
AKOS013587689,
KS-9232,
MCULE-4785732533,
NE50507,
FT-0737912,
Z1649677779,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.179g/mol |
| Monoisotopic Mass | 182.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number