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Home > Other Heterocycles > 824390-36-5
824390-36-5 | 1,4-Dioxaspiro[4.5]decan-2-one, 3-(2-oxo-2-phenylethyl)-
CAS No: 824390-36-5 Catalog No: AG005BPI MDL No:
Product Description
Catalog Number:
AG005BPI
Chemical Name:
1,4-Dioxaspiro[4.5]decan-2-one, 3-(2-oxo-2-phenylethyl)-
CAS Number:
824390-36-5
Molecular Formula:
C16H18O4
Molecular Weight:
274.3117
IUPAC Name:
2-phenacyl-1,4-dioxaspiro[4.5]decan-3-one
InChI:
InChI=1S/C16H18O4/c17-13(12-7-3-1-4-8-12)11-14-15(18)20-16(19-14)9-5-2-6-10-16/h1,3-4,7-8,14H,2,5-6,9-11H2
InChI Key:
MIHWNQSKBJCYJY-UHFFFAOYSA-N
SMILES:
O=C1OC2(OC1CC(=O)c1ccccc1)CCCCC2
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.316g/mol
Monoisotopic Mass:
274.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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