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Home > Nitro Compounds > 132272-46-9
132272-46-9 | 4-Octanol, 5-nitro-
CAS No: 132272-46-9 Catalog No: AG0010GE MDL No:
Product Description
Catalog Number:
AG0010GE
Chemical Name:
4-Octanol, 5-nitro-
CAS Number:
132272-46-9
Molecular Formula:
C8H17NO3
Molecular Weight:
175.2255
IUPAC Name:
5-nitrooctan-4-ol
InChI:
InChI=1S/C8H17NO3/c1-3-5-7(9(11)12)8(10)6-4-2/h7-8,10H,3-6H2,1-2H3
InChI Key:
SEICGYRRALKKBW-UHFFFAOYSA-N
SMILES:
CCCC(C(CCC)O)[N+](=O)[O-]
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.121g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.228g/mol
Monoisotopic Mass:
175.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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