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Home > Nitro Compounds > 899822-97-0
899822-97-0 | 3-nitro-1-(4-octylphenyl)-preopanone
CAS No: 899822-97-0 Catalog No: AG00H2QR MDL No:
Product Description
Catalog Number:
AG00H2QR
Chemical Name:
3-nitro-1-(4-octylphenyl)-preopanone
CAS Number:
899822-97-0
IUPAC Name:
3-nitro-1-(4-octylphenyl)propan-1-one
InChI:
InChI=1S/C17H25NO3/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)17(19)13-14-18(20)21/h9-12H,2-8,13-14H2,1H3
InChI Key:
NJNSEIUIBRRLDJ-UHFFFAOYSA-N
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.183g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.391g/mol
Monoisotopic Mass:
291.183g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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