| CAS Number | 1039547-74-4 |
| Catalog Number | AG01B7X8(AGN-PC-0WNLLZ) |
| Chemical Name | 2-Methyl-2-(pyridin-2-yl)propanoic acid, sodium salt |
| IUPAC Name | sodium;2-methyl-2-pyridin-2-ylpropanoate |
| InChI | InChI=1S/C9H11NO2.Na/c1-9(2,8(11)12)7-5-3-4-6-10-7;/h3-6H,1-2H3,(H,11,12);/q;+1/p-1 |
| InChI Key | DRIIYKVKCMUYNM-UHFFFAOYSA-M |
| MDL Number | MFCD11226768 |
| Molecular Formula | C9H10NNaO2 |
| Molecular Weight | 187.1710 |
| SMILES | [Na+].CC(C1=NC=CC=C1)(C([O-])=O)C |
| Synonyms | sodium 2-methyl-2-(pyridin-2-yl)propanoate,
1039547-74-4,
MFCD11226768,
SBB090550,
AKOS006323722,
2-Methyl-2-(pyridin-2-yl)propanoate, sodium salt,
2-Methyl-2-pyridin-2-ylpropanoic acid sodium salt,
2-Methyl-2-(pyridin-2-yl)propanoic acidsodium salt,
2-Methyl-2-(pyridin-2-yl)propanoic acid, sodium salt,
2-Methyl-2-(pyridin-2-yl)propanoic acid,sodium salt,
Z2756332589,
1033546-27-8,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.174g/mol |
| Monoisotopic Mass | 187.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number