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Home > Nitro Compounds > 84246-76-4
84246-76-4 | Cyclododecanepropanal, 1-nitro-2-oxo-
CAS No: 84246-76-4 Catalog No: AG004OCS MDL No:
Product Description
Catalog Number:
AG004OCS
Chemical Name:
Cyclododecanepropanal, 1-nitro-2-oxo-
CAS Number:
84246-76-4
Molecular Formula:
C15H25NO4
Molecular Weight:
283.3633
IUPAC Name:
3-(1-nitro-2-oxocyclododecyl)propanal
InChI:
InChI=1S/C15H25NO4/c17-13-9-12-15(16(19)20)11-8-6-4-2-1-3-5-7-10-14(15)18/h13H,1-12H2
InChI Key:
GMAUXGUTXNDPRF-UHFFFAOYSA-N
SMILES:
O=CCCC1(CCCCCCCCCCC1=O)[N+](=O)[O-]
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.368g/mol
Monoisotopic Mass:
283.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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