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144758-76-9 | Ethanone, 1,2-bis(3,5-dimethoxyphenyl)-2-hydroxy-
CAS No: 144758-76-9 Catalog No: AG001K4D MDL No:
Product Description
Catalog Number:
AG001K4D
Chemical Name:
Ethanone, 1,2-bis(3,5-dimethoxyphenyl)-2-hydroxy-
CAS Number:
144758-76-9
Molecular Formula:
C18H20O6
Molecular Weight:
332.3478
IUPAC Name:
1,2-bis(3,5-dimethoxyphenyl)-2-hydroxyethanone
InChI:
InChI=1S/C18H20O6/c1-21-13-5-11(6-14(9-13)22-2)17(19)18(20)12-7-15(23-3)10-16(8-12)24-4/h5-10,17,19H,1-4H3
InChI Key:
FRFNNKFPADJNFG-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)C(=O)C(c1cc(OC)cc(c1)OC)O
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.352g/mol
Monoisotopic Mass:
332.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Mechanistic kinetic model for symmetric carboligations using benzaldehyde lyase. | Biotechnology and bioengineering 20080901 |
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