| CAS Number | 1068977-12-7 |
| Catalog Number | AG00HAVZ |
| Chemical Name | 2-(2-Methoxyphenyl)pyrimidine-5-carboxylic acid |
| IUPAC Name | 2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C12H10N2O3/c1-17-10-5-3-2-4-9(10)11-13-6-8(7-14-11)12(15)16/h2-7H,1H3,(H,15,16) |
| InChI Key | WXUZXIHOKLVGET-UHFFFAOYSA-N |
| MDL Number | MFCD17530621 |
| Molecular Formula | C12H10N2O3 |
| Molecular Weight | 230.2194 |
| SMILES | COC1=C(C2=NC=C(C(O)=O)C=N2)C=CC=C1 |
| Synonyms | 2-(2-METHOXYPHENYL)PYRIMIDINE-5-CARBOXYLIC ACID,
1068977-12-7,
SCHEMBL3209935,
MFCD17530621,
ZINC54856986,
AKOS012049798,
AS-42548,
FT-0733547,
2-(2-methoxy-phenyl)-pyrimidine-5-carboxylic acid,
2-(2-methoxyphenyl)-5-Pyrimidinecarboxylic acid,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.223g/mol |
| Monoisotopic Mass | 230.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number