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Home > Nitro Compounds > 85981-67-5
85981-67-5 | 1,2-Dioxolane, 3,3-dimethyl-5-(4-nitrophenyl)-
CAS No: 85981-67-5 Catalog No: AG004Q4I MDL No:
Product Description
Catalog Number:
AG004Q4I
Chemical Name:
1,2-Dioxolane, 3,3-dimethyl-5-(4-nitrophenyl)-
CAS Number:
85981-67-5
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
3,3-dimethyl-5-(4-nitrophenyl)dioxolane
InChI:
InChI=1S/C11H13NO4/c1-11(2)7-10(15-16-11)8-3-5-9(6-4-8)12(13)14/h3-6,10H,7H2,1-2H3
InChI Key:
XHRQEVOULDRTTM-UHFFFAOYSA-N
SMILES:
CC1(C)OOC(C1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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