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Home > Nitro Compounds > 834917-37-2
834917-37-2 | 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(1R)-2-nitro-1-phenylethyl]-
CAS No: 834917-37-2 Catalog No: AG00592E MDL No:
Product Description
Catalog Number:
AG00592E
Chemical Name:
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(1R)-2-nitro-1-phenylethyl]-
CAS Number:
834917-37-2
Molecular Formula:
C14H15NO6
Molecular Weight:
293.2720
IUPAC Name:
2,2-dimethyl-5-[(1R)-2-nitro-1-phenylethyl]-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C14H15NO6/c1-14(2)20-12(16)11(13(17)21-14)10(8-15(18)19)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/t10-/m0/s1
InChI Key:
XTUFMIJJOUMASE-JTQLQIEISA-N
SMILES:
O=C1OC(C)(C)OC(=O)C1[C@H](c1ccccc1)C[N+](=O)[O-]
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
293.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.275g/mol
Monoisotopic Mass:
293.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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