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Home > Other Heterocycles > 88523-27-7
88523-27-7 | 1-Oxa-5-azaspiro[5.5]undecane, 5-(2-diazo-1,3-dioxobutyl)-3-methyl-
CAS No: 88523-27-7 Catalog No: AG0048FP MDL No:
Product Description
Catalog Number:
AG0048FP
Chemical Name:
1-Oxa-5-azaspiro[5.5]undecane, 5-(2-diazo-1,3-dioxobutyl)-3-methyl-
CAS Number:
88523-27-7
Molecular Formula:
C14H21N3O3
Molecular Weight:
279.3348
IUPAC Name:
2-diazo-1-(3-methyl-1-oxa-5-azaspiro[5.5]undecan-5-yl)butane-1,3-dione
InChI:
InChI=1S/C14H21N3O3/c1-10-8-17(13(19)12(16-15)11(2)18)14(20-9-10)6-4-3-5-7-14/h10H,3-9H2,1-2H3
InChI Key:
NGTYTCFTZROSLZ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C(C(=O)N1CC(C)COC21CCCCC2)C(=O)C
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.158g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.34g/mol
Monoisotopic Mass:
279.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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