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Home > Nitro Compounds > 154317-89-2
154317-89-2 | 2,2-dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione
CAS No: 154317-89-2 Catalog No: AG01CAYM MDL No:MFCD01935740
Product Description
Catalog Number:
AG01CAYM
Chemical Name:
2,2-dimethyl-5-(4-nitrobenzyl)-1,3-dioxane-4,6-dione
CAS Number:
154317-89-2
Molecular Formula:
C13H13NO6
Molecular Weight:
279.2454
MDL Number:
MFCD01935740
IUPAC Name:
2,2-dimethyl-5-[(4-nitrophenyl)methyl]-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C13H13NO6/c1-13(2)19-11(15)10(12(16)20-13)7-8-3-5-9(6-4-8)14(17)18/h3-6,10H,7H2,1-2H3
InChI Key:
FZKSUOXPWYRNEF-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(C)OC(=O)C1Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.248g/mol
Monoisotopic Mass:
279.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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