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Home > Nitro Compounds > 72024-78-3
72024-78-3 | 1,3-Dioxolane, 4-methyl-2-(3-nitrophenyl)-
CAS No: 72024-78-3 Catalog No: AG005DKR MDL No:
Product Description
Catalog Number:
AG005DKR
Chemical Name:
1,3-Dioxolane, 4-methyl-2-(3-nitrophenyl)-
CAS Number:
72024-78-3
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
IUPAC Name:
4-methyl-2-(3-nitrophenyl)-1,3-dioxolane
InChI:
InChI=1S/C10H11NO4/c1-7-6-14-10(15-7)8-3-2-4-9(5-8)11(12)13/h2-5,7,10H,6H2,1H3
InChI Key:
NCABOERLZUBBNX-UHFFFAOYSA-N
SMILES:
CC1COC(O1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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