| CAS Number | 926203-75-0 |
| Catalog Number | AG019WXE(AGN-PC-0WOB0X) |
| Chemical Name | 3-[(pyrazin-2-yl)formamido]propanoic acid |
| IUPAC Name | 3-(pyrazine-2-carbonylamino)propanoic acid |
| InChI | InChI=1S/C8H9N3O3/c12-7(13)1-2-11-8(14)6-5-9-3-4-10-6/h3-5H,1-2H2,(H,11,14)(H,12,13) |
| InChI Key | KLAJDQUTWPPIMV-UHFFFAOYSA-N |
| MDL Number | MFCD09045064 |
| Molecular Formula | C8H9N3O3 |
| Molecular Weight | 195.1754 |
| SMILES | OC(CCNC(C1=NC=CN=C1)=O)=O |
| Synonyms | 3-(pyrazin-2-ylformamido)propanoic acid,
926203-75-0,
3-(pyrazine-2-carbonylamino)propanoic Acid,
AC1N4PVV,
AC1Q75N6,
CTK7J4328,
ZINC6865120,
AKOS000128770,
MCULE-2946887981,
NE55152,
EN300-53433,
AB01005606-01,
CID4182709,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.178g/mol |
| Monoisotopic Mass | 195.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number