Home Carboxys 3-Ethyl-1-methyl-1h-pyrazole-4-carboxylic acid

3-Ethyl-1-methyl-1h-pyrazole-4-carboxylic acid

CAS No.:
113100-49-5
Catalog Number:
AG00928D
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
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Product Description
Catalog Number:
AG00928D
Chemical Name:
3-Ethyl-1-methyl-1h-pyrazole-4-carboxylic acid
CAS Number:
113100-49-5
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD08700651
IUPAC Name:
3-ethyl-1-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C7H10N2O2/c1-3-6-5(7(10)11)4-9(2)8-6/h4H,3H2,1-2H3,(H,10,11)
InChI Key:
BOQSSGWSBMZZBI-UHFFFAOYSA-N
SMILES:
CCc1nn(cc1C(=O)O)C
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties