848607-42-1
4-(3-ISOPROPYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID
Name
4-(3-ISOPROPYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID
pro_formula
C13 H14 N2 O3
pro_molWeight
246.265
1Identification
【Name】
4-(3-ISOPROPYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD13224044
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H14 N2 O3
【pro_molWeight】
246.265
【Inchi】
InChI=1S/C13H14N2O3/c1-8(2)11-7-12(16)15(14-11)10-5-3-9(4-6-10)13(17)18/h3-6,8H,7H2,1-2H3,(H,17,18)
【InChIKey】
InChIKey=AVCALGSMXGYLRI-UHFFFAOYSA-N
【SMILES】
CC(C)C1=NN(C(=O)C1)c2ccc(cc2)C(=O)O
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-(3-ISOPROPYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZOIC ACID.cml
quick_release
SuppliersList
Aroma Circle Corp.
pro_catalogNo:AC15965 1G
pro_catalogNo:AC15965 5G
CountryRegion:US
BusinessType:Others
http://www.aromacircle.com
More 848607-42-1 select_supply>>
pro_catalogNo:AC15965 1G
pro_catalogNo:AC15965 5G
CountryRegion:US
BusinessType:Others
http://www.aromacircle.com
More 848607-42-1 select_supply>>