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100560-59-6 | 1-Propanone, 2-(1-ethoxyethoxy)-1-phenyl-
CAS No: 100560-59-6 Catalog No: AG0002CO MDL No:
Product Description
Catalog Number:
AG0002CO
Chemical Name:
1-Propanone, 2-(1-ethoxyethoxy)-1-phenyl-
CAS Number:
100560-59-6
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
2-(1-ethoxyethoxy)-1-phenylpropan-1-one
InChI:
InChI=1S/C13H18O3/c1-4-15-11(3)16-10(2)13(14)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3
InChI Key:
NQRGCKUJIQMPLT-UHFFFAOYSA-N
SMILES:
CCOC(OC(C(=O)c1ccccc1)C)C
Properties
Complexity:
209
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:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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