957503-86-5
3,5-DIMETHYL-1-PROPYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
Name
3,5-DIMETHYL-1-PROPYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
Formula
C9 H14 N2 O2
MolWeight
182.222
1Identification
【Name】
3,5-DIMETHYL-1-PROPYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD06589780
【English Synonyms】
【Formula】
C9 H14 N2 O2
【MolWeight】
182.222
【Inchi】
InChI=1S/C9H14N2O2/c1-4-5-11-7(3)8(9(12)13)6(2)10-11/h4-5H2,1-3H3,(H,12,13)
【InChIKey】
InChIKey=CNDXZAQYWMOIFV-UHFFFAOYSA-N
【SMILES】
CCCn1c(c(c(n1)C)C(=O)O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIMETHYL-1-PROPYL-1H-PYRAZOLE-4-CARBOXYLIC ACID.cml
Quick Release
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Enamine
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