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Home > Nitro Compounds > 81590-76-3
81590-76-3 | Cyclohexanepropanal, 1-nitro-2-oxo-
CAS No: 81590-76-3 Catalog No: AG005JS3 MDL No:
Product Description
Catalog Number:
AG005JS3
Chemical Name:
Cyclohexanepropanal, 1-nitro-2-oxo-
CAS Number:
81590-76-3
Molecular Formula:
C9H13NO4
Molecular Weight:
199.2038
IUPAC Name:
3-(1-nitro-2-oxocyclohexyl)propanal
InChI:
InChI=1S/C9H13NO4/c11-7-3-6-9(10(13)14)5-2-1-4-8(9)12/h7H,1-6H2
InChI Key:
LDZQEEHGHPAGNN-UHFFFAOYSA-N
SMILES:
O=CCCC1(CCCCC1=O)[N+](=O)[O-]
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.206g/mol
Monoisotopic Mass:
199.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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