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872832-66-1 | 1-Azaspiro[3.5]non-5-ene-2,7-dione, 1,5,9-trimethoxy-
CAS No: 872832-66-1 Catalog No: AG004PEF MDL No:
Product Description
Catalog Number:
AG004PEF
Chemical Name:
1-Azaspiro[3.5]non-5-ene-2,7-dione, 1,5,9-trimethoxy-
CAS Number:
872832-66-1
Molecular Formula:
C11H15NO5
Molecular Weight:
241.2405
IUPAC Name:
1,5,9-trimethoxy-1-azaspiro[3.5]non-5-ene-2,7-dione
InChI:
InChI=1S/C11H15NO5/c1-15-8-4-7(13)5-9(16-2)11(8)6-10(14)12(11)17-3/h4,9H,5-6H2,1-3H3
InChI Key:
MAUWYECUBOWZQA-UHFFFAOYSA-N
SMILES:
COC1CC(=O)C=C(C21CC(=O)N2OC)OC
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.243g/mol
Monoisotopic Mass:
241.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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