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114590-72-6 | Ethanone, 1-[2,5-bis(1-methylethoxy)phenyl]-
CAS No: 114590-72-6 Catalog No: AG000ERQ MDL No:
Product Description
Catalog Number:
AG000ERQ
Chemical Name:
Ethanone, 1-[2,5-bis(1-methylethoxy)phenyl]-
CAS Number:
114590-72-6
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
1-[2,5-di(propan-2-yloxy)phenyl]ethanone
InChI:
InChI=1S/C14H20O3/c1-9(2)16-12-6-7-14(17-10(3)4)13(8-12)11(5)15/h6-10H,1-5H3
InChI Key:
FRHSTIWJCLJQEK-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(c(c1)C(=O)C)OC(C)C)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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