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137363-39-4 | 3H-Pyrazole, 4,5-dihydro-3-hydroperoxy-3,4,4,5,5-pentamethyl-
CAS No: 137363-39-4 Catalog No: AG00136O MDL No:
Product Description
Catalog Number:
AG00136O
Chemical Name:
3H-Pyrazole, 4,5-dihydro-3-hydroperoxy-3,4,4,5,5-pentamethyl-
CAS Number:
137363-39-4
Molecular Formula:
C8H16N2O2
Molecular Weight:
172.2248
IUPAC Name:
3-hydroperoxy-3,4,4,5,5-pentamethylpyrazole
InChI:
InChI=1S/C8H16N2O2/c1-6(2)7(3,4)9-10-8(6,5)12-11/h11H,1-5H3
InChI Key:
WQJPWIATEIXNOJ-UHFFFAOYSA-N
SMILES:
OOC1(C)N=NC(C1(C)C)(C)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.121g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.228g/mol
Monoisotopic Mass:
172.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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