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88174-71-4 | 2-Cyclohexen-1-one, 5-(4-butoxy-2,6-dimethylphenyl)-3-hydroxy-
CAS No: 88174-71-4 Catalog No: AG004CIX MDL No:
Product Description
Catalog Number:
AG004CIX
Chemical Name:
2-Cyclohexen-1-one, 5-(4-butoxy-2,6-dimethylphenyl)-3-hydroxy-
CAS Number:
88174-71-4
Molecular Formula:
C18H24O3
Molecular Weight:
288.3814
IUPAC Name:
5-(4-butoxy-2,6-dimethylphenyl)-3-hydroxycyclohex-2-en-1-one
InChI:
InChI=1S/C18H24O3/c1-4-5-6-21-17-7-12(2)18(13(3)8-17)14-9-15(19)11-16(20)10-14/h7-8,11,14,19H,4-6,9-10H2,1-3H3
InChI Key:
FJQIYQGULWAHRZ-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(C)c(c(c1)C)C1CC(=CC(=O)C1)O
Properties
Complexity:
376
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:
1
Isotope Atom Count:
0
Molecular Weight:
288.387g/mol
Monoisotopic Mass:
288.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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