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89100-04-9

89100-04-9 | 2-Butanone, 3-(2-methyloxiranyl)-4-phenyl-

CAS No: 89100-04-9 Catalog No: AG0040EF MDL No:

Product Description

Catalog Number:
AG0040EF
Chemical Name:
2-Butanone, 3-(2-methyloxiranyl)-4-phenyl-
CAS Number:
89100-04-9
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
3-(2-methyloxiran-2-yl)-4-phenylbutan-2-one
InChI:
InChI=1S/C13H16O2/c1-10(14)12(13(2)9-15-13)8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3
InChI Key:
DBLBIIPQFWAVFX-UHFFFAOYSA-N
SMILES:
CC(=O)C(C1(C)CO1)Cc1ccccc1

Properties

Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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