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99922-52-8 | 4H-Pyrazole, 4,4-dimethyl-
CAS No: 99922-52-8 Catalog No: AG003VOY MDL No:
Product Description
Catalog Number:
AG003VOY
Chemical Name:
4H-Pyrazole, 4,4-dimethyl-
CAS Number:
99922-52-8
Molecular Formula:
C5H8N2
Molecular Weight:
96.1304
IUPAC Name:
4,4-dimethylpyrazole
InChI:
InChI=1S/C5H8N2/c1-5(2)3-6-7-4-5/h3-4H,1-2H3
InChI Key:
VQKIBNYBXZAFCM-UHFFFAOYSA-N
SMILES:
CC1(C)C=NN=C1
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.069g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.133g/mol
Monoisotopic Mass:
96.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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