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Home > Nitro Compounds > 29211-80-1
29211-80-1 | 1,3-Dioxane, 4-(4-nitrophenyl)-
CAS No: 29211-80-1 Catalog No: AG002XPC MDL No:
Product Description
Catalog Number:
AG002XPC
Chemical Name:
1,3-Dioxane, 4-(4-nitrophenyl)-
CAS Number:
29211-80-1
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
IUPAC Name:
4-(4-nitrophenyl)-1,3-dioxane
InChI:
InChI=1S/C10H11NO4/c12-11(13)9-3-1-8(2-4-9)10-5-6-14-7-15-10/h1-4,10H,5-7H2
InChI Key:
RJZMEUKDTRCHHB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1CCOCO1
Properties
Complexity:
220
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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