934291-01-7
4-[4-FORMYL-3-(4-METHOXYPHENYL)-1H-PYRAZOL-1-YL]BENZOIC ACID
Name
4-[4-FORMYL-3-(4-METHOXYPHENYL)-1H-PYRAZOL-1-YL]BENZOIC ACID
Formula
C18H14N2O4
MolWeight
322.319
1Identification
【Name】
4-[4-FORMYL-3-(4-METHOXYPHENYL)-1H-PYRAZOL-1-YL]BENZOIC ACID
【CAS】
【MDL】
MFCD15833148
【English Synonyms】
【Formula】
C18H14N2O4
【MolWeight】
322.319
【Inchi】
InChI=1S/C18H14N2O4/c1-24-16-8-4-12(5-9-16)17-14(11-21)10-20(19-17)15-6-2-13(3-7-15)18(22)23/h2-11H,1H3,(H,22,23)
【InChIKey】
InChIKey=QHZNTEHYQUUGEV-UHFFFAOYSA-N
【SMILES】
C(=O)C=1C(=NN(C1)C1=CC=C(C(=O)O)C=C1)C1=CC=C(C=C1)OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.2661
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[4-FORMYL-3-(4-METHOXYPHENYL)-1H-PYRAZOL-1-YL]BENZOIC ACID.cml
Quick Release
3H-1,2,4-TRIAZOL-3-ONE, 5-AMINO-2,4-DIHYDRO-2,4-DIMETHYL-, HYDRAZONE
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BAZ2-ICR
{3-[4-(3-Ethyl-2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-pyrazol-1-ylmethyl]-phenyl}-phosphonic acid
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