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13084-76-9 | 1H-Pyrazole, 3,5-dimethyl-4-(1-methylethyl)-
CAS No: 13084-76-9 Catalog No: AG000V0B MDL No:
Product Description
Catalog Number:
AG000V0B
Chemical Name:
1H-Pyrazole, 3,5-dimethyl-4-(1-methylethyl)-
CAS Number:
13084-76-9
Molecular Formula:
C8H14N2
Molecular Weight:
138.2102
IUPAC Name:
3,5-dimethyl-4-propan-2-yl-1H-pyrazole
InChI:
InChI=1S/C8H14N2/c1-5(2)8-6(3)9-10-7(8)4/h5H,1-4H3,(H,9,10)
InChI Key:
NYRGQNFSWYXHKD-UHFFFAOYSA-N
SMILES:
CC(c1c(C)n[nH]c1C)C
NSC Number:
103094
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.116g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.214g/mol
Monoisotopic Mass:
138.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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