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Home > Nitro Compounds > 899822-99-2
899822-99-2 | 3-(hydroxymethyl)-3-nitro-1-(4-octylphenyl)-Ben
CAS No: 899822-99-2 Catalog No: AG00GXMK MDL No:
Product Description
Catalog Number:
AG00GXMK
Chemical Name:
3-(hydroxymethyl)-3-nitro-1-(4-octylphenyl)-Ben
CAS Number:
899822-99-2
IUPAC Name:
3-(hydroxymethyl)-3-nitro-1-(4-octylphenyl)butane-1,4-diol
InChI:
InChI=1S/C19H31NO5/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)18(23)13-19(14-21,15-22)20(24)25/h9-12,18,21-23H,2-8,13-15H2,1H3
InChI Key:
SUSUNJZIRVZIIO-UHFFFAOYSA-N
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.22g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
353.459g/mol
Monoisotopic Mass:
353.22g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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