| CAS Number | 402497-58-9 |
| Catalog Number | AG00CVHB |
| Chemical Name | 4-[(4,6-Dimethoxypyrimidin-2-yl)methoxy]benzoic acid |
| IUPAC Name | 4-[(4,6-dimethoxypyrimidin-2-yl)methoxy]benzoic acid |
| InChI | InChI=1S/C14H14N2O5/c1-19-12-7-13(20-2)16-11(15-12)8-21-10-5-3-9(4-6-10)14(17)18/h3-7H,8H2,1-2H3,(H,17,18) |
| InChI Key | RPJJCYOYFVFMFI-UHFFFAOYSA-N |
| MDL Number | MFCD01567897 |
| Molecular Formula | C14H14N2O5 |
| Molecular Weight | 290.2714 |
| SMILES | COC1=CC(OC)=NC(COC2=CC=C(C=C2)C(O)=O)=N1 |
| Synonyms | 4-[(4,6-dimethoxypyrimidin-2-yl)methoxy]benzoic acid,
402497-58-9,
MFCD01567897,
OR4058,
PS-11020,
SR-01000384305,
SR-01000384305-1,
CID4082564,
4-(4,6-DIMETHOXYPYRIMIDIN-2-YLMETHOXY)BENZOIC ACID,
Peakdale1_001181,
AC1N36FM,
AC1Q49BD,
SCHEMBL1586534,
CTK6J9594,
HMS521F15,
ZINC1741451,
ZX-AT000329,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.275g/mol |
| Monoisotopic Mass | 290.09g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 90.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number