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Home > Other Heterocycles > 1416354-30-7
1416354-30-7 | 1-Oxa-9-azaspiro[5.5]undecane, ethanedioate (1:1)
CAS No: 1416354-30-7 Catalog No: AG001GQ9 MDL No:
Product Description
Catalog Number:
AG001GQ9
Chemical Name:
1-Oxa-9-azaspiro[5.5]undecane, ethanedioate (1:1)
CAS Number:
1416354-30-7
Molecular Formula:
C11H19NO5
Molecular Weight:
245.2723
IUPAC Name:
1-oxa-9-azaspiro[5.5]undecane;oxalic acid
InChI:
InChI=1S/C9H17NO.C2H2O4/c1-2-8-11-9(3-1)4-6-10-7-5-9;3-1(4)2(5)6/h10H,1-8H2;(H,3,4)(H,5,6)
InChI Key:
CYNMDUBXDLISFH-UHFFFAOYSA-N
SMILES:
N1CCC2(CC1)CCCCO2.OC(=O)C(=O)O
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
245.275g/mol
Monoisotopic Mass:
245.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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