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Home > Nitro Compounds > 88127-49-5
88127-49-5 | Octadecanoic acid, 9,10-dinitro-
CAS No: 88127-49-5 Catalog No: AG004I0N MDL No:
Product Description
Catalog Number:
AG004I0N
Chemical Name:
Octadecanoic acid, 9,10-dinitro-
CAS Number:
88127-49-5
Molecular Formula:
C18H34N2O6
Molecular Weight:
374.4724
IUPAC Name:
9,10-dinitrooctadecanoic acid
InChI:
InChI=1S/C18H34N2O6/c1-2-3-4-5-7-10-13-16(19(23)24)17(20(25)26)14-11-8-6-9-12-15-18(21)22/h16-17H,2-15H2,1H3,(H,21,22)
InChI Key:
AIRWLXJFMTYEIU-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(C([N+](=O)[O-])CCCCCCCC(=O)O)[N+](=O)[O-]
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.242g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.478g/mol
Monoisotopic Mass:
374.242g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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