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Home > Other Heterocycles > 89388-37-4
89388-37-4 | 1-Oxa-5-azaspiro[5.5]undecane, 5-(1,3-dioxobutyl)-3-methyl-
CAS No: 89388-37-4 Catalog No: AG003WKL MDL No:
Product Description
Catalog Number:
AG003WKL
Chemical Name:
1-Oxa-5-azaspiro[5.5]undecane, 5-(1,3-dioxobutyl)-3-methyl-
CAS Number:
89388-37-4
Molecular Formula:
C14H23NO3
Molecular Weight:
253.3373
IUPAC Name:
1-(3-methyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)butane-1,3-dione
InChI:
InChI=1S/C14H23NO3/c1-11-9-15(13(17)8-12(2)16)14(18-10-11)6-4-3-5-7-14/h11H,3-10H2,1-2H3
InChI Key:
MXPDCXUIBWITRH-UHFFFAOYSA-N
SMILES:
CC1COC2(N(C1)C(=O)CC(=O)C)CCCCC2
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.342g/mol
Monoisotopic Mass:
253.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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