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15754-60-6 | 1H-Pyrazole, 1-(1,1-dimethylethyl)-
CAS No: 15754-60-6 Catalog No: AG001PIP MDL No:MFCD12192641
Product Description
Catalog Number:
AG001PIP
Chemical Name:
1H-Pyrazole, 1-(1,1-dimethylethyl)-
CAS Number:
15754-60-6
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
MDL Number:
MFCD12192641
IUPAC Name:
1-tert-butylpyrazole
InChI:
InChI=1S/C7H12N2/c1-7(2,3)9-6-4-5-8-9/h4-6H,1-3H3
InChI Key:
QUSOBKIKODRYSH-UHFFFAOYSA-N
SMILES:
CC(n1cccn1)(C)C
Properties
Complexity:
93.6
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:
1.1
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