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Home > Other Heterocycles > 88176-84-5
88176-84-5 | 1,4-Dioxaspiro[4.5]decan-8-one, 7-(3,4-dimethoxyphenyl)-
CAS No: 88176-84-5 Catalog No: AG004CFK MDL No:
Product Description
Catalog Number:
AG004CFK
Chemical Name:
1,4-Dioxaspiro[4.5]decan-8-one, 7-(3,4-dimethoxyphenyl)-
CAS Number:
88176-84-5
Molecular Formula:
C16H20O5
Molecular Weight:
292.3270
IUPAC Name:
7-(3,4-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-one
InChI:
InChI=1S/C16H20O5/c1-18-14-4-3-11(9-15(14)19-2)12-10-16(6-5-13(12)17)20-7-8-21-16/h3-4,9,12H,5-8,10H2,1-2H3
InChI Key:
YHEOANLXFJVZKO-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C1CC2(OCCO2)CCC1=O
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.131g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.331g/mol
Monoisotopic Mass:
292.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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