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Home > Nitro Compounds > 20570-71-2
20570-71-2 | 3-Hexanol, 2-methyl-4-nitro-
CAS No: 20570-71-2 Catalog No: AG002ABJ MDL No:
Product Description
Catalog Number:
AG002ABJ
Chemical Name:
3-Hexanol, 2-methyl-4-nitro-
CAS Number:
20570-71-2
Molecular Formula:
C7H15NO3
Molecular Weight:
161.1989
IUPAC Name:
2-methyl-4-nitrohexan-3-ol
InChI:
InChI=1S/C7H15NO3/c1-4-6(8(10)11)7(9)5(2)3/h5-7,9H,4H2,1-3H3
InChI Key:
WTRFXBIPCREZQA-UHFFFAOYSA-N
SMILES:
CCC(C(C(C)C)O)[N+](=O)[O-]
NSC Number:
17690
Properties
Complexity:
130
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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