88752-75-4
4-(4-METHOXYPHENYL)-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLIC ACID
Name4-(4-METHOXYPHENYL)-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLIC ACID
1Identification
【Name】
4-(4-METHOXYPHENYL)-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLIC ACID
【CAS】
【MDL】
MFCD01104381
【English Synonyms】
【Formula】
C16 H15 N O5
【MolWeight】
301.297
【Inchi】
InChI=1S/C16H15NO5/c1-8-12(15(18)19)14(13(16(20)21)9(2)17-8)10-4-6-11(22-3)7-5-10/h4-7H,1-3H3,(H,18,19)(H,20,21)
【InChIKey】
InChIKey=NVGXQNBATWIBIP-UHFFFAOYSA-N
【SMILES】
Cc1c(c(c(c(n1)C)C(=O)O)c2ccc(cc2)OC)C(=O)O
【MOL File】
4-(4-METHOXYPHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-METHOXYPHENYL)-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLIC ACID.cml