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Home > Nitro Compounds > 88072-90-6
88072-90-6 | 2,6-Tridecanedione, 5-nitro-
CAS No: 88072-90-6 Catalog No: AG004ETK MDL No:
Product Description
Catalog Number:
AG004ETK
Chemical Name:
2,6-Tridecanedione, 5-nitro-
CAS Number:
88072-90-6
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
IUPAC Name:
5-nitrotridecane-2,6-dione
InChI:
InChI=1S/C13H23NO4/c1-3-4-5-6-7-8-13(16)12(14(17)18)10-9-11(2)15/h12H,3-10H2,1-2H3
InChI Key:
WOESFWAHUQUCFX-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)C([N+](=O)[O-])CCC(=O)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.33g/mol
Monoisotopic Mass:
257.163g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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