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Home > Nitro Compounds > 878392-74-6
878392-74-6 | 1,3-Dioxolane, 2-[1-(4-nitrophenyl)ethyl]-
CAS No: 878392-74-6 Catalog No: AG004EM1 MDL No:
Product Description
Catalog Number:
AG004EM1
Chemical Name:
1,3-Dioxolane, 2-[1-(4-nitrophenyl)ethyl]-
CAS Number:
878392-74-6
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
2-[1-(4-nitrophenyl)ethyl]-1,3-dioxolane
InChI:
InChI=1S/C11H13NO4/c1-8(11-15-6-7-16-11)9-2-4-10(5-3-9)12(13)14/h2-5,8,11H,6-7H2,1H3
InChI Key:
POYGAUBQYMRFSW-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)[N+](=O)[O-])C1OCCO1
Properties
Complexity:
239
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:
2
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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