| CAS Number | 307526-41-6 |
| Catalog Number | AG01AAY5 |
| Chemical Name | 3-{[(pyridin-3-yl)methyl]carbamoyl}prop-2-enoic acid |
| IUPAC Name | 4-oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid |
| InChI | InChI=1S/C10H10N2O3/c13-9(3-4-10(14)15)12-7-8-2-1-5-11-6-8/h1-6H,7H2,(H,12,13)(H,14,15) |
| InChI Key | TXGCHSXRGITSHI-UHFFFAOYSA-N |
| MDL Number | MFCD00587931 |
| Molecular Formula | C10H10N2O3 |
| Molecular Weight | 206.1980 |
| SMILES | OC(C=CC(NCC1=CN=CC=C1)=O)=O |
| Synonyms | 307526-41-6,
AC1L65LB,
CTK5D6357,
CTK7G8455,
7252-23-5,
AKOS034472250,
MCULE-9318109226,
4-oxo-4-(pyridin-3-ylmethylamino)but-2-enoic acid,
3-{[(pyridin-3-yl)methyl]carbamoyl}prop-2-enoic acid,
4-oxo-4-[(pyridin-3-ylmethyl)amino]but-2-enoic acid,
Z57098226,
(Z)-3-((PYRIDIN-3-YL)METHYLCARBAMOYL)PROP-2-ENOIC ACID,
NSC47046,
CID240621,
3-[(pyridin-3-ylmethyl)carbamoyl]prop-2-enoic acid,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.201g/mol |
| Monoisotopic Mass | 206.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number