| CAS Number | 1176754-29-2 |
| Catalog Number | AG00VTKK(AGN-PC-0WBKK7) |
| Chemical Name | 2-(3-methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid |
| IUPAC Name | 2-(3-methyl-2-oxopyridin-1-yl)acetic acid |
| InChI | InChI=1S/C8H9NO3/c1-6-3-2-4-9(8(6)12)5-7(10)11/h2-4H,5H2,1H3,(H,10,11) |
| InChI Key | CIJDGSBMVPUFQD-UHFFFAOYSA-N |
| MDL Number | MFCD11901686 |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.1620 |
| SMILES | CC1C(=O)N(CC(O)=O)C=CC=1 |
| Synonyms | 2-(3-methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid,
1176754-29-2,
SCHEMBL4592116,
ZINC31892624,
AKOS012474282,
MCULE-9245980442,
NE32788,
NS-01346,
2-(3-Methyl-2-oxopyridin-1(2H)-yl)acetic acid,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.164g/mol |
| Monoisotopic Mass | 167.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number