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Home > Nitro Compounds > 89329-53-3
89329-53-3 | 3-Pentanone, 1-(2-methyl-1,3-dioxolan-2-yl)-2-nitro-5-phenyl-
CAS No: 89329-53-3 Catalog No: AG003YEO MDL No:
Product Description
Catalog Number:
AG003YEO
Chemical Name:
3-Pentanone, 1-(2-methyl-1,3-dioxolan-2-yl)-2-nitro-5-phenyl-
CAS Number:
89329-53-3
Molecular Formula:
C15H19NO5
Molecular Weight:
293.3151
IUPAC Name:
1-(2-methyl-1,3-dioxolan-2-yl)-2-nitro-5-phenylpentan-3-one
InChI:
InChI=1S/C15H19NO5/c1-15(20-9-10-21-15)11-13(16(18)19)14(17)8-7-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChI Key:
DYHBIKMGQXPKDV-UHFFFAOYSA-N
SMILES:
O=C(C([N+](=O)[O-])CC1(C)OCCO1)CCc1ccccc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.319g/mol
Monoisotopic Mass:
293.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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