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100863-82-9 | Ethanone, 1-(2,4-dipropoxyphenyl)-
CAS No: 100863-82-9 Catalog No: AG000320 MDL No:MFCD05266691
Product Description
Catalog Number:
AG000320
Chemical Name:
Ethanone, 1-(2,4-dipropoxyphenyl)-
CAS Number:
100863-82-9
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
MDL Number:
MFCD05266691
IUPAC Name:
1-(2,4-dipropoxyphenyl)ethanone
InChI:
InChI=1S/C14H20O3/c1-4-8-16-12-6-7-13(11(3)15)14(10-12)17-9-5-2/h6-7,10H,4-5,8-9H2,1-3H3
InChI Key:
JYOSXKGJWBSXKY-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1)OCCC)C(=O)C
Properties
Complexity:
228
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:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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