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1249088-67-2 | 1H-Pyrazole, 1-(1,1-dimethylethyl)-5-methyl-
CAS No: 1249088-67-2 Catalog No: AG000MVJ MDL No:MFCD16042700
Product Description
Catalog Number:
AG000MVJ
Chemical Name:
1H-Pyrazole, 1-(1,1-dimethylethyl)-5-methyl-
CAS Number:
1249088-67-2
Molecular Formula:
C8H14N2
Molecular Weight:
138.2102
MDL Number:
MFCD16042700
IUPAC Name:
1-tert-butyl-5-methylpyrazole
InChI:
InChI=1S/C8H14N2/c1-7-5-6-9-10(7)8(2,3)4/h5-6H,1-4H3
InChI Key:
LUUBZNAWKAKWKG-UHFFFAOYSA-N
SMILES:
Cc1ccnn1C(C)(C)C
Properties
Complexity:
115
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:
0
Isotope Atom Count:
0
Molecular Weight:
138.214g/mol
Monoisotopic Mass:
138.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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