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Home > Nitro Compounds > 31044-98-1
31044-98-1 | Pentane, 2,2,4-trimethyl-4-nitroso-
CAS No: 31044-98-1 Catalog No: AG003208 MDL No:
Product Description
Catalog Number:
AG003208
Chemical Name:
Pentane, 2,2,4-trimethyl-4-nitroso-
CAS Number:
31044-98-1
Molecular Formula:
C8H17NO
Molecular Weight:
143.2267
IUPAC Name:
2,2,4-trimethyl-4-nitrosopentane
InChI:
InChI=1S/C8H17NO/c1-7(2,3)6-8(4,5)9-10/h6H2,1-5H3
InChI Key:
UTBLRYZTSZCMEY-UHFFFAOYSA-N
SMILES:
O=NC(CC(C)(C)C)(C)C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.131g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.23g/mol
Monoisotopic Mass:
143.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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