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116496-27-6 | Methanone, (3,4-dimethoxyphenyl)(3,5-dimethoxyphenyl)-
CAS No: 116496-27-6 Catalog No: AG000CMI MDL No:
Product Description
Catalog Number:
AG000CMI
Chemical Name:
Methanone, (3,4-dimethoxyphenyl)(3,5-dimethoxyphenyl)-
CAS Number:
116496-27-6
Molecular Formula:
C17H18O5
Molecular Weight:
302.3218
IUPAC Name:
(3,4-dimethoxyphenyl)-(3,5-dimethoxyphenyl)methanone
InChI:
InChI=1S/C17H18O5/c1-19-13-7-12(8-14(10-13)20-2)17(18)11-5-6-15(21-3)16(9-11)22-4/h5-10H,1-4H3
InChI Key:
CDGJPOYKKKNYQP-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)C(=O)c1ccc(c(c1)OC)OC
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.326g/mol
Monoisotopic Mass:
302.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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