56153-30-1
5-[(4-HYDROXYPHENYL)METHYL]-2-PYRIDINECARBOXYLIC ACID
Name5-[(4-HYDROXYPHENYL)METHYL]-2-PYRIDINECARBOXYLIC ACID
1Identification
【Name】
5-[(4-HYDROXYPHENYL)METHYL]-2-PYRIDINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD01692061
【English Synonyms】
【Formula】
C13 H11 N O3
【MolWeight】
229.234
【Inchi】
InChI=1S/C13H11NO3/c15-11-4-1-9(2-5-11)7-10-3-6-12(13(16)17)14-8-10/h1-6,8,15H,7H2,(H,16,17)
【InChIKey】
InChIKey=SJBFZHNCSGBLEK-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1Cc2ccc(nc2)C(=O)O)O
【MOL File】
5-[(4-HYDROXYPHENYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[(4-HYDROXYPHENYL)METHYL]-2-PYRIDINECARBOXYLIC ACID.cml