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Home > Nitro Compounds > 7251-87-8
7251-87-8 | 5-methyl-5-nitrohexan-2-ol
CAS No: 7251-87-8 Catalog No: AG005SKQ MDL No:
Product Description
Catalog Number:
AG005SKQ
Chemical Name:
5-methyl-5-nitrohexan-2-ol
CAS Number:
7251-87-8
Molecular Formula:
C7H15NO3
Molecular Weight:
161.1989
IUPAC Name:
5-methyl-5-nitrohexan-2-ol
InChI:
InChI=1S/C7H15NO3/c1-6(9)4-5-7(2,3)8(10)11/h6,9H,4-5H2,1-3H3
InChI Key:
JHAZSFLGWSANGV-UHFFFAOYSA-N
SMILES:
CC(CCC([N+](=O)[O-])(C)C)O
NSC Number:
20680
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.105g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.201g/mol
Monoisotopic Mass:
161.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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