477859-45-3
4-(4-METHOXYPHENOXY)-2-PHENYL-5-PYRIMIDINECARBOXYLIC ACID
Name4-(4-METHOXYPHENOXY)-2-PHENYL-5-PYRIMIDINECARBOXYLIC ACID
1Identification
【Name】
4-(4-METHOXYPHENOXY)-2-PHENYL-5-PYRIMIDINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD02083197
【English Synonyms】
【Formula】
C18 H14 N2 O4
【MolWeight】
322.319
【Inchi】
InChI=1S/C18H14N2O4/c1-23-13-7-9-14(10-8-13)24-17-15(18(21)22)11-19-16(20-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22)
【InChIKey】
InChIKey=CXLNHDUDRXQRGT-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)Oc2c(cnc(n2)c3ccccc3)C(=O)O
【MOL File】
4-(4-METHOXYPHENOXY)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-METHOXYPHENOXY)-2-PHENYL-5-PYRIMIDINECARBOXYLIC ACID.cml