Home Carboxys 1,4-dimethyl-1H-pyrazole-3-carboxylic acid hydrochloride

1,4-dimethyl-1H-pyrazole-3-carboxylic acid hydrochloride

CAS No.:
1955554-38-7
Catalog Number:
AG01C3FT
Molecular Formula:
C6H9ClN2O2
Molecular Weight:
176.6009
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Product Description
Catalog Number:
AG01C3FT
Chemical Name:
1,4-dimethyl-1H-pyrazole-3-carboxylic acid hydrochloride
CAS Number:
1955554-38-7
Molecular Formula:
C6H9ClN2O2
Molecular Weight:
176.6009
MDL Number:
MFCD29991278
IUPAC Name:
1,4-dimethylpyrazole-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C6H8N2O2.ClH/c1-4-3-8(2)7-5(4)6(9)10;/h3H,1-2H3,(H,9,10);1H
InChI Key:
FXRNNGZVKUOSOB-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)C(=O)O)C.Cl
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
176.6g/mol
Monoisotopic Mass:
176.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties