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76246-92-9 | Ethanone, 1-(2,5-dimethoxyphenyl)-2-phenyl-
CAS No: 76246-92-9 Catalog No: AG005EKX MDL No:MFCD12568982
Product Description
Catalog Number:
AG005EKX
Chemical Name:
Ethanone, 1-(2,5-dimethoxyphenyl)-2-phenyl-
CAS Number:
76246-92-9
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
MDL Number:
MFCD12568982
IUPAC Name:
1-(2,5-dimethoxyphenyl)-2-phenylethanone
InChI:
InChI=1S/C16H16O3/c1-18-13-8-9-16(19-2)14(11-13)15(17)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChI Key:
SGXKDPZOCYXVJA-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)Cc1ccccc1)OC
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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