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112434-80-7 | 2′,5′-Diethoxyacetophenone
CAS No: 112434-80-7 Catalog No: AG003G9S MDL No:MFCD04039932
Product Description
Catalog Number:
AG003G9S
Chemical Name:
2′,5′-Diethoxyacetophenone
CAS Number:
112434-80-7
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD04039932
IUPAC Name:
1-(2,5-diethoxyphenyl)ethanone
InChI:
InChI=1S/C12H16O3/c1-4-14-10-6-7-12(15-5-2)11(8-10)9(3)13/h6-8H,4-5H2,1-3H3
InChI Key:
IFLFTVAARGTQDY-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)C(=O)C)OCC
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:
2.3
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