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Home > Other Heterocycles > 91712-91-3
91712-91-3 | 1,4-Dioxaspiro[4.5]decan-8-one, 7-(2,3-dimethoxyphenyl)-
CAS No: 91712-91-3 Catalog No: AG006QCX MDL No:
Product Description
Catalog Number:
AG006QCX
Chemical Name:
1,4-Dioxaspiro[4.5]decan-8-one, 7-(2,3-dimethoxyphenyl)-
CAS Number:
91712-91-3
Molecular Formula:
C16H20O5
Molecular Weight:
292.3270
IUPAC Name:
7-(2,3-dimethoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-one
InChI:
InChI=1S/C16H20O5/c1-18-14-5-3-4-11(15(14)19-2)12-10-16(7-6-13(12)17)20-8-9-21-16/h3-5,12H,6-10H2,1-2H3
InChI Key:
CCTVXUTXJKHCPI-UHFFFAOYSA-N
SMILES:
COc1c(cccc1OC)C1CC2(CCC1=O)OCCO2
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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