| CAS Number | 26767-06-6 |
| Catalog Number | AG01ABPL(AGN-PC-0R2OSR) |
| Chemical Name | 2-(2-methoxyphenyl)-2-oxoacetic acid |
| IUPAC Name | 2-(2-methoxyphenyl)-2-oxoacetic acid |
| InChI | InChI=1S/C9H8O4/c1-13-7-5-3-2-4-6(7)8(10)9(11)12/h2-5H,1H3,(H,11,12) |
| InChI Key | RGOJMRLSECAMJM-UHFFFAOYSA-N |
| MDL Number | MFCD02666071 |
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.1574 |
| SMILES | COC1=C(C(C(O)=O)=O)C=CC=C1 |
| Synonyms | 2-(2-methoxyphenyl)-2-oxoacetic acid,
26767-06-6,
2-(o-methoxyphenyl)glyoxylic acid,
AC1MP83E,
2-methoxyphenylglyoxylic acid,
CHEMBL131413,
SCHEMBL4621633,
(2-methoxyphenyl)oxoacetic acid,
RGOJMRLSECAMJM-UHFFFAOYSA-N,
(2-methoxyphenyl)(oxo)acetic acid,
2-(2-Methoxyphenyl)glyoxylic acid,
(2-Methoxy-phenyl)-oxo-acetic acid,
ZINC25557913,
AKOS022300679,
MCULE-9571759026,
NE24096,
Z1815155444,
CID3431101,
2-(2-methoxyphenyl)-2-oxo-acetic Acid,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.159g/mol |
| Monoisotopic Mass | 180.042g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number