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Home > Nitro Compounds > 88127-51-9
88127-51-9 | Octadecanoic acid, 9-nitro-10-(nitrooxy)-
CAS No: 88127-51-9 Catalog No: AG004DUM MDL No:
Product Description
Catalog Number:
AG004DUM
Chemical Name:
Octadecanoic acid, 9-nitro-10-(nitrooxy)-
CAS Number:
88127-51-9
Molecular Formula:
C18H34N2O7
Molecular Weight:
390.4718
IUPAC Name:
9-nitro-10-nitrooxyoctadecanoic acid
InChI:
InChI=1S/C18H34N2O7/c1-2-3-4-5-8-11-14-17(27-20(25)26)16(19(23)24)13-10-7-6-9-12-15-18(21)22/h16-17H,2-15H2,1H3,(H,21,22)
InChI Key:
ZWLGTNZQSRPWTA-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(C([N+](=O)[O-])CCCCCCCC(=O)O)O[N+](=O)[O-]
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.237g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.477g/mol
Monoisotopic Mass:
390.237g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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