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125532-06-1 | Ethanone, 1-[4-(diethoxymethyl)phenyl]-
CAS No: 125532-06-1 Catalog No: AG000NT6 MDL No:
Product Description
Catalog Number:
AG000NT6
Chemical Name:
Ethanone, 1-[4-(diethoxymethyl)phenyl]-
CAS Number:
125532-06-1
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
1-[4-(diethoxymethyl)phenyl]ethanone
InChI:
InChI=1S/C13H18O3/c1-4-15-13(16-5-2)12-8-6-11(7-9-12)10(3)14/h6-9,13H,4-5H2,1-3H3
InChI Key:
UHDFWGBBKSDYKJ-UHFFFAOYSA-N
SMILES:
CCOC(c1ccc(cc1)C(=O)C)OCC
Properties
Complexity:
201
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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