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86616-76-4 | 2-Cyclohexen-1-one, 3-ethoxy-6-[3-(phenylmethoxy)propyl]-
CAS No: 86616-76-4 Catalog No: AG004L0D MDL No:
Product Description
Catalog Number:
AG004L0D
Chemical Name:
2-Cyclohexen-1-one, 3-ethoxy-6-[3-(phenylmethoxy)propyl]-
CAS Number:
86616-76-4
Molecular Formula:
C18H24O3
Molecular Weight:
288.3814
IUPAC Name:
3-ethoxy-6-(3-phenylmethoxypropyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C18H24O3/c1-2-21-17-11-10-16(18(19)13-17)9-6-12-20-14-15-7-4-3-5-8-15/h3-5,7-8,13,16H,2,6,9-12,14H2,1H3
InChI Key:
CAXRWJXWYIQPRJ-UHFFFAOYSA-N
SMILES:
CCOC1=CC(=O)C(CC1)CCCOCc1ccccc1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.387g/mol
Monoisotopic Mass:
288.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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