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130098-90-7 | 1H-Pyrazole, 4-methyl-1-(1-methylethyl)-
CAS No: 130098-90-7 Catalog No: AG000TZL MDL No:
Product Description
Catalog Number:
AG000TZL
Chemical Name:
1H-Pyrazole, 4-methyl-1-(1-methylethyl)-
CAS Number:
130098-90-7
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
IUPAC Name:
4-methyl-1-propan-2-ylpyrazole
InChI:
InChI=1S/C7H12N2/c1-6(2)9-5-7(3)4-8-9/h4-6H,1-3H3
InChI Key:
XBHHKVWZNGPYQD-UHFFFAOYSA-N
SMILES:
Cc1cnn(c1)C(C)C
Properties
Complexity:
90.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.187g/mol
Monoisotopic Mass:
124.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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