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78060-73-8 | 1H-Pyrazole-1-carboximidamide, 3,5-dimethyl-, monoacetate
CAS No: 78060-73-8 Catalog No: AG0055FM MDL No:
Product Description
Catalog Number:
AG0055FM
Chemical Name:
1H-Pyrazole-1-carboximidamide, 3,5-dimethyl-, monoacetate
CAS Number:
78060-73-8
Molecular Formula:
C8H14N4O2
Molecular Weight:
198.2224
IUPAC Name:
acetic acid;3,5-dimethylpyrazole-1-carboximidamide
InChI:
InChI=1S/C6H10N4.C2H4O2/c1-4-3-5(2)10(9-4)6(7)8;1-2(3)4/h3H,1-2H3,(H3,7,8);1H3,(H,3,4)
InChI Key:
TXXQKMIEBUHQGW-UHFFFAOYSA-N
SMILES:
Cc1cc(nn1C(=N)N)C.CC(=O)O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.112g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
198.226g/mol
Monoisotopic Mass:
198.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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