Home Other Building Blocks 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid

3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid

CAS No.:
1093430-18-2
Catalog Number:
AG019PQV
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
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Product Description
Catalog Number:
AG019PQV
Chemical Name:
3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid
CAS Number:
1093430-18-2
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD08700961
IUPAC Name:
3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid
InChI:
InChI=1S/C9H14N2O2/c1-5(9(12)13)4-8-6(2)10-11-7(8)3/h5H,4H2,1-3H3,(H,10,11)(H,12,13)
InChI Key:
ZJCNNCJYWFIMQY-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)Cc1c(C)n[nH]c1C
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties