Home Other Building Blocks 3-(1-ethyl-3-methyl-1H-pyrazol-5-yl)propanoic acid

3-(1-ethyl-3-methyl-1H-pyrazol-5-yl)propanoic acid

CAS No.:
1494600-97-3
Catalog Number:
AG01EK7P
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
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Product Description
Catalog Number:
AG01EK7P
Chemical Name:
3-(1-ethyl-3-methyl-1H-pyrazol-5-yl)propanoic acid
CAS Number:
1494600-97-3
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
IUPAC Name:
3-(2-ethyl-5-methylpyrazol-3-yl)propanoic acid
InChI:
InChI=1S/C9H14N2O2/c1-3-11-8(4-5-9(12)13)6-7(2)10-11/h6H,3-5H2,1-2H3,(H,12,13)
InChI Key:
SDFGXTRPLJHPDL-UHFFFAOYSA-N
SMILES:
CCn1nc(cc1CCC(=O)O)C
Properties
Complexity:
185  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties