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19256-31-6

19256-31-6 | 2-Propanone, 1,1-diethoxy-3-phenyl-

CAS No: 19256-31-6 Catalog No: AG002G2R MDL No:

Product Description

Catalog Number:
AG002G2R
Chemical Name:
2-Propanone, 1,1-diethoxy-3-phenyl-
CAS Number:
19256-31-6
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
1,1-diethoxy-3-phenylpropan-2-one
InChI:
InChI=1S/C13H18O3/c1-3-15-13(16-4-2)12(14)10-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3
InChI Key:
LFYMGSKZVOVUKZ-UHFFFAOYSA-N
SMILES:
CCOC(C(=O)Cc1ccccc1)OCC
EC Number:
242-922-8

Properties

Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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