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Home > Nitro Compounds > 101972-90-1
101972-90-1 | 1-Octanol, 8-nitro-
CAS No: 101972-90-1 Catalog No: AG00064P MDL No:
Product Description
Catalog Number:
AG00064P
Chemical Name:
1-Octanol, 8-nitro-
CAS Number:
101972-90-1
Molecular Formula:
C8H17NO3
Molecular Weight:
175.2255
IUPAC Name:
8-nitrooctan-1-ol
InChI:
InChI=1S/C8H17NO3/c10-8-6-4-2-1-3-5-7-9(11)12/h10H,1-8H2
InChI Key:
NVCMQUWIVFXVRL-UHFFFAOYSA-N
SMILES:
OCCCCCCCC[N+](=O)[O-]
Properties
Complexity:
111
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:
7
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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