952308-05-3
4-METHYL-2-[(2-METHYLPYRIDIN-3-YL)OXY]BENZOIC ACID
Name4-METHYL-2-[(2-METHYLPYRIDIN-3-YL)OXY]BENZOIC ACID
1Identification
【Name】
4-METHYL-2-[(2-METHYLPYRIDIN-3-YL)OXY]BENZOIC ACID
【CAS】
【MDL】
MFCD11040239
【English Synonyms】
【Formula】
C14 H13 N O3
【MolWeight】
243.261
【Inchi】
InChI=1S/C14H13NO3/c1-9-5-6-11(14(16)17)13(8-9)18-12-4-3-7-15-10(12)2/h3-8H,1-2H3,(H,16,17)
【InChIKey】
InChIKey=BBTUULBIEGNLFU-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)Oc2cccnc2C)C(=O)O
【MOL File】
4-METHYL-2-[(2-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-2-[(2-METHYLPYRIDIN-3-YL)OXY]BENZOIC ACID.cml