795260-68-3
5-(4-BENZYLOXYPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
Name
5-(4-BENZYLOXYPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
Formula
C17 H14 N2 O3
MolWeight
294.309
1Identification
【Name】
5-(4-BENZYLOXYPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD05170153
【English Synonyms】
【Formula】
C17 H14 N2 O3
【MolWeight】
294.309
【Inchi】
InChI=1S/C17H14N2O3/c20-17(21)16-10-15(18-19-16)13-6-8-14(9-7-13)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19)(H,20,21)
【InChIKey】
InChIKey=JFCYETQEMDKJAU-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)COc2ccc(cc2)c3cc(n[nH]3)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-(4-BENZYLOXYPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID.cml
Quick Release
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