| CAS Number | 61560-94-9 |
| Catalog Number | AG01AD9V(AGN-PC-0T0XQR) |
| Chemical Name | 2-Oxo-2-(m-tolyl)acetic acid |
| IUPAC Name | 2-(3-methylphenyl)-2-oxoacetic acid |
| InChI | InChI=1S/C9H8O3/c1-6-3-2-4-7(5-6)8(10)9(11)12/h2-5H,1H3,(H,11,12) |
| InChI Key | GZXVAVNQNKCFFN-UHFFFAOYSA-N |
| MDL Number | MFCD07698692 |
| Molecular Formula | C9H8O3 |
| Molecular Weight | 164.1580 |
| SMILES | O=C(C(=O)O)C=1C=C(C=CC1)C |
| Synonyms | 61560-94-9,
2-(3-methylphenyl)-2-oxoacetic acid,
(3-Methylphenyl)glyoxylic acid,
2-Oxo-2-(m-tolyl)acetic acid,
SCHEMBL2060236,
2-(3-Methylphenyl)glyoxylic acid,
ZINC39208993,
AKOS022636708,
2-oxo-2-m-tolylacetic acid,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.16g/mol |
| Monoisotopic Mass | 164.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number