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Home > Nitro Compounds > 89703-94-6
89703-94-6 | 1-Pentanone, 1,2-bis(4-methoxyphenyl)-4-methyl-4-nitro-
CAS No: 89703-94-6 Catalog No: AG0042P5 MDL No:
Product Description
Catalog Number:
AG0042P5
Chemical Name:
1-Pentanone, 1,2-bis(4-methoxyphenyl)-4-methyl-4-nitro-
CAS Number:
89703-94-6
Molecular Formula:
C20H23NO5
Molecular Weight:
357.4003
IUPAC Name:
1,2-bis(4-methoxyphenyl)-4-methyl-4-nitropentan-1-one
InChI:
InChI=1S/C20H23NO5/c1-20(2,21(23)24)13-18(14-5-9-16(25-3)10-6-14)19(22)15-7-11-17(26-4)12-8-15/h5-12,18H,13H2,1-4H3
InChI Key:
PLLHYYJHWAFHIO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C(c1ccc(cc1)OC)CC([N+](=O)[O-])(C)C
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.158g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.406g/mol
Monoisotopic Mass:
357.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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