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13753-53-2 | 1H-Pyrazole, 4-(1-methylethyl)-
CAS No: 13753-53-2 Catalog No: AG0013HZ MDL No:MFCD20502404
Product Description
Catalog Number:
AG0013HZ
Chemical Name:
1H-Pyrazole, 4-(1-methylethyl)-
CAS Number:
13753-53-2
Molecular Formula:
C6H10N2
Molecular Weight:
110.1570
MDL Number:
MFCD20502404
IUPAC Name:
4-propan-2-yl-1H-pyrazole
InChI:
InChI=1S/C6H10N2/c1-5(2)6-3-7-8-4-6/h3-5H,1-2H3,(H,7,8)
InChI Key:
WVMBISZHWMJNNM-UHFFFAOYSA-N
SMILES:
CC(c1c[nH]nc1)C
Properties
Complexity:
70.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
110.16g/mol
Monoisotopic Mass:
110.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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