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Home > Nitro Compounds > 384815-72-9
384815-72-9 | 5-ethyl-5-methyl-2-(4-nitrophenyl)-1,3-dioxane
CAS No: 384815-72-9 Catalog No: AG00JGZW MDL No:MFCD02612729
Product Description
Catalog Number:
AG00JGZW
Chemical Name:
5-ethyl-5-methyl-2-(4-nitrophenyl)-1,3-dioxane
CAS Number:
384815-72-9
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD02612729
IUPAC Name:
5-ethyl-5-methyl-2-(4-nitrophenyl)-1,3-dioxane
InChI:
InChI=1S/C13H17NO4/c1-3-13(2)8-17-12(18-9-13)10-4-6-11(7-5-10)14(15)16/h4-7,12H,3,8-9H2,1-2H3
InChI Key:
WLLDZCSYOXQNDX-UHFFFAOYSA-N
SMILES:
CCC1(C)COC(OC1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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