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Home > Nitro Compounds > 79928-61-3
79928-61-3 | 2-Pentanol, 2-methyl-5-nitro-
CAS No: 79928-61-3 Catalog No: AG004Z93 MDL No:
Product Description
Catalog Number:
AG004Z93
Chemical Name:
2-Pentanol, 2-methyl-5-nitro-
CAS Number:
79928-61-3
Molecular Formula:
C6H13NO3
Molecular Weight:
147.1723
IUPAC Name:
2-methyl-5-nitropentan-2-ol
InChI:
InChI=1S/C6H13NO3/c1-6(2,8)4-3-5-7(9)10/h8H,3-5H2,1-2H3
InChI Key:
HGGBYJGRYRWRBE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCCC(O)(C)C
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.09g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.174g/mol
Monoisotopic Mass:
147.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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