| CAS Number | 554405-93-5 |
| Catalog Number | AG019NA1 |
| Chemical Name | 3-(morpholine-4-carbonyl)pyrazine-2-carboxylic acid |
| IUPAC Name | 3-(morpholine-4-carbonyl)pyrazine-2-carboxylic acid |
| InChI | InChI=1S/C10H11N3O4/c14-9(13-3-5-17-6-4-13)7-8(10(15)16)12-2-1-11-7/h1-2H,3-6H2,(H,15,16) |
| InChI Key | WOWZYGCJBHGTJM-UHFFFAOYSA-N |
| MDL Number | MFCD03968111 |
| Molecular Formula | C10H11N3O4 |
| Molecular Weight | 237.2120 |
| SMILES | OC(C1=C(C(N2CCOCC2)=O)N=CC=N1)=O |
| Synonyms | 3-(morpholine-4-carbonyl)pyrazine-2-carboxylic Acid,
554405-93-5,
3-(morpholin-4-ylcarbonyl)pyrazine-2-carboxylic acid,
AC1NO2R9,
AC1Q72DP,
CTK7G0553,
ZINC5783286,
AKOS002968986,
MCULE-2328191196,
NE51757,
EN300-39790,
Z56893232,
CID5081313,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.215g/mol |
| Monoisotopic Mass | 237.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number