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Home > Nitro Compounds > 1225347-11-4
1225347-11-4 | 1,3-Dioxane, 2,2-dimethyl-5-nitro-5-[6-(phenylmethoxy)-2-naphthalenyl]-
CAS No: 1225347-11-4 Catalog No: AG0017EM MDL No:MFCD23135339
Product Description
Catalog Number:
AG0017EM
Chemical Name:
1,3-Dioxane, 2,2-dimethyl-5-nitro-5-[6-(phenylmethoxy)-2-naphthalenyl]-
CAS Number:
1225347-11-4
Molecular Formula:
C23H23NO5
Molecular Weight:
393.4324
MDL Number:
MFCD23135339
IUPAC Name:
2,2-dimethyl-5-nitro-5-(6-phenylmethoxynaphthalen-2-yl)-1,3-dioxane
InChI:
InChI=1S/C23H23NO5/c1-22(2)28-15-23(16-29-22,24(25)26)20-10-8-19-13-21(11-9-18(19)12-20)27-14-17-6-4-3-5-7-17/h3-13H,14-16H2,1-2H3
InChI Key:
VSJBREXGTRXFPS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1(COC(OC1)(C)C)c1ccc2c(c1)ccc(c2)OCc1ccccc1
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.158g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.439g/mol
Monoisotopic Mass:
393.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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