Home Carboxys 1-butyl-1H-pyrazole-5-carboxylic acid

1-butyl-1H-pyrazole-5-carboxylic acid

CAS No.:
1006493-81-7
Catalog Number:
AG00JEVM
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
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Product Description
Catalog Number:
AG00JEVM
Chemical Name:
1-butyl-1H-pyrazole-5-carboxylic acid
CAS Number:
1006493-81-7
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD06805232
IUPAC Name:
2-butylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C8H12N2O2/c1-2-3-6-10-7(8(11)12)4-5-9-10/h4-5H,2-3,6H2,1H3,(H,11,12)
InChI Key:
GPCNIDIHJOJQFF-UHFFFAOYSA-N
SMILES:
CCCCn1nccc1C(=O)O
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties