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Home > Nitro Compounds > 89449-80-9
89449-80-9 | 3-Nonanol, 2-nitro-1-[(tetrahydro-2-furanyl)oxy]-
CAS No: 89449-80-9 Catalog No: AG0042W2 MDL No:
Product Description
Catalog Number:
AG0042W2
Chemical Name:
3-Nonanol, 2-nitro-1-[(tetrahydro-2-furanyl)oxy]-
CAS Number:
89449-80-9
Molecular Formula:
C13H25NO5
Molecular Weight:
275.3413
IUPAC Name:
2-nitro-1-(oxolan-2-yloxy)nonan-3-ol
InChI:
InChI=1S/C13H25NO5/c1-2-3-4-5-7-12(15)11(14(16)17)10-19-13-8-6-9-18-13/h11-13,15H,2-10H2,1H3
InChI Key:
KRAWYJATLAEFFS-UHFFFAOYSA-N
SMILES:
CCCCCCC(C([N+](=O)[O-])COC1CCCO1)O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.345g/mol
Monoisotopic Mass:
275.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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