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Home > Nitro Compounds > 5663-26-3
5663-26-3 | 2-(3-nitrophenyl)-1,3-dioxane
CAS No: 5663-26-3 Catalog No: AG00JH00 MDL No:MFCD01097166
Product Description
Catalog Number:
AG00JH00
Chemical Name:
2-(3-nitrophenyl)-1,3-dioxane
CAS Number:
5663-26-3
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD01097166
IUPAC Name:
2-(3-nitrophenyl)-1,3-dioxane
InChI:
InChI=1S/C10H11NO4/c12-11(13)9-4-1-3-8(7-9)10-14-5-2-6-15-10/h1,3-4,7,10H,2,5-6H2
InChI Key:
VQZDEWTWLOZYBX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)C1OCCCO1
Properties
Complexity:
222
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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