1141-70-4
1-BENZYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
Name
1-BENZYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
Formula
C12 H12 N2 O2
MolWeight
216.239
1Identification
【Name】
1-BENZYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD01693537
【English Synonyms】
【Formula】
C12 H12 N2 O2
【MolWeight】
216.239
【Inchi】
InChI=1S/C12H12N2O2/c1-9-7-11(12(15)16)14(13-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)
【InChIKey】
InChIKey=JJADNHRPPVETTB-UHFFFAOYSA-N
【SMILES】
Cc1cc(n(n1)Cc2ccccc2)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
Oakwood Products, Inc. :1-BENZYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
1-BENZYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID.cml
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