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1588441-29-5 | 1H-Pyrazole, 3-(1,1-dimethylethyl)-4-methyl-
CAS No: 1588441-29-5 Catalog No: AG001QXE MDL No:MFCD26967960
Product Description
Catalog Number:
AG001QXE
Chemical Name:
1H-Pyrazole, 3-(1,1-dimethylethyl)-4-methyl-
CAS Number:
1588441-29-5
Molecular Formula:
C8H14N2
Molecular Weight:
138.2102
MDL Number:
MFCD26967960
IUPAC Name:
5-tert-butyl-4-methyl-1H-pyrazole
InChI:
InChI=1S/C8H14N2/c1-6-5-9-10-7(6)8(2,3)4/h5H,1-4H3,(H,9,10)
InChI Key:
ARNQGHOVSRHJPQ-UHFFFAOYSA-N
SMILES:
Cc1c[nH]nc1C(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:
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:
2.3
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