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Home > Nitro Compounds > 13154-31-9
13154-31-9 | Cyclododecanone, 2-nitro-
CAS No: 13154-31-9 Catalog No: AG000ZE3 MDL No:
Product Description
Catalog Number:
AG000ZE3
Chemical Name:
Cyclododecanone, 2-nitro-
CAS Number:
13154-31-9
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
IUPAC Name:
2-nitrocyclododecan-1-one
InChI:
InChI=1S/C12H21NO3/c14-12-10-8-6-4-2-1-3-5-7-9-11(12)13(15)16/h11H,1-10H2
InChI Key:
SIKBTEDZSLYKRA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1CCCCCCCCCCC1=O
NSC Number:
339629
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and fungicidal activity of macrolactones and macrolactams with a sulfonamide side chain. | Journal of agricultural and food chemistry 20080813 |
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