904815-28-7
5-(3,4,5-TRIMETHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
Name5-(3,4,5-TRIMETHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
1Identification
【Name】
5-(3,4,5-TRIMETHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD05170217
【English Synonyms】
【Formula】
C13 H14 N2 O5
【MolWeight】
278.263
【Inchi】
InChI=1S/C13H14N2O5/c1-18-10-4-7(5-11(19-2)12(10)20-3)8-6-9(13(16)17)15-14-8/h4-6H,1-3H3,(H,14,15)(H,16,17)
【InChIKey】
InChIKey=FYERHXVYCMXLAX-UHFFFAOYSA-N
【SMILES】
COc1cc(cc(c1OC)OC)c2cc(n[nH]2)C(=O)O
【MOL File】
5-(3,4,5-TRIMETHOXYP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(3,4,5-TRIMETHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID.cml