402497-58-9
4-[(4,6-DIMETHOXYPYRIMIDIN-2-YL)METHOXY]BENZOIC ACID
Name4-[(4,6-DIMETHOXYPYRIMIDIN-2-YL)METHOXY]BENZOIC ACID
1Identification
【Name】
4-[(4,6-DIMETHOXYPYRIMIDIN-2-YL)METHOXY]BENZOIC ACID
【CAS】
【MDL】
MFCD01567897
【English Synonyms】
【Formula】
C14 H14 N2 O5
【MolWeight】
290.274
【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)
【InChIKey】
InChIKey=RPJJCYOYFVFMFI-UHFFFAOYSA-N
【SMILES】
COc1cc(nc(n1)COc2ccc(cc2)C(=O)O)OC
【MOL File】
4-[(4,6-DIMETHOXYPYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[(4,6-DIMETHOXYPYRIMIDIN-2-YL)METHOXY]BENZOIC ACID.cml