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Home > Nitro Compounds > 84246-75-3
84246-75-3 | Cyclooctanepropanal, 1-nitro-2-oxo-
CAS No: 84246-75-3 Catalog No: AG004RJ8 MDL No:
Product Description
Catalog Number:
AG004RJ8
Chemical Name:
Cyclooctanepropanal, 1-nitro-2-oxo-
CAS Number:
84246-75-3
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
IUPAC Name:
3-(1-nitro-2-oxocyclooctyl)propanal
InChI:
InChI=1S/C11H17NO4/c13-9-5-8-11(12(15)16)7-4-2-1-3-6-10(11)14/h9H,1-8H2
InChI Key:
FEXXQMJMZWRQTD-UHFFFAOYSA-N
SMILES:
O=CCCC1(CCCCCCC1=O)[N+](=O)[O-]
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.26g/mol
Monoisotopic Mass:
227.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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