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89114-54-5 | 2-Cyclohexen-1-one, 2-ethoxy-3-(4-methoxyphenyl)-
CAS No: 89114-54-5 Catalog No: AG003YZV MDL No:
Product Description
Catalog Number:
AG003YZV
Chemical Name:
2-Cyclohexen-1-one, 2-ethoxy-3-(4-methoxyphenyl)-
CAS Number:
89114-54-5
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
IUPAC Name:
2-ethoxy-3-(4-methoxyphenyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C15H18O3/c1-3-18-15-13(5-4-6-14(15)16)11-7-9-12(17-2)10-8-11/h7-10H,3-6H2,1-2H3
InChI Key:
QJWZKJQMTNYOFC-UHFFFAOYSA-N
SMILES:
CCOC1=C(CCCC1=O)c1ccc(cc1)OC
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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