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1137-71-9 | Ethanone, 1-(3,4-diethoxyphenyl)-
CAS No: 1137-71-9 Catalog No: AG0009DW MDL No:MFCD00277131
Product Description
Catalog Number:
AG0009DW
Chemical Name:
Ethanone, 1-(3,4-diethoxyphenyl)-
CAS Number:
1137-71-9
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD00277131
IUPAC Name:
1-(3,4-diethoxyphenyl)ethanone
InChI:
InChI=1S/C12H16O3/c1-4-14-11-7-6-10(9(3)13)8-12(11)15-5-2/h6-8H,4-5H2,1-3H3
InChI Key:
GYFUKZCPECCHTB-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1OCC)C(=O)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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