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89765-17-3

89765-17-3 | 2-Butanone, 3-(4-ethoxyphenyl)-3-methyl-

CAS No: 89765-17-3 Catalog No: AG004033 MDL No:

Product Description

Catalog Number:
AG004033
Chemical Name:
2-Butanone, 3-(4-ethoxyphenyl)-3-methyl-
CAS Number:
89765-17-3
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
3-(4-ethoxyphenyl)-3-methylbutan-2-one
InChI:
InChI=1S/C13H18O2/c1-5-15-12-8-6-11(7-9-12)13(3,4)10(2)14/h6-9H,5H2,1-4H3
InChI Key:
JPOPBFXQDOKVGJ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C(C(=O)C)(C)C

Properties

Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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