848606-64-4
3-(3-ISOPROPYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID
Name
3-(3-ISOPROPYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID
Formula
C13 H14 N2 O3
MolWeight
246.265
1Identification
【Name】
3-(3-ISOPROPYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD13197164
【English Synonyms】
【Formula】
C13 H14 N2 O3
【MolWeight】
246.265
【Inchi】
InChI=1S/C13H14N2O3/c1-8(2)11-7-12(16)15(14-11)10-5-3-4-9(6-10)13(17)18/h3-6,8H,7H2,1-2H3,(H,17,18)
【InChIKey】
InChIKey=PSCKNFKPPMYAHW-UHFFFAOYSA-N
【SMILES】
CC(C)C1=NN(C(=O)C1)c2cccc(c2)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(3-ISOPROPYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID.cml
Quick Release
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Catalog No:AC15768 5G
Catalog No:AC15768 1G
Country/Region:United States
Business Type:Others
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