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Home > Other Heterocycles > 1523571-09-6
1523571-09-6 | 8-oxa-5-azaspiro[3.5]nonane hemioxalate
CAS No: 1523571-09-6 Catalog No: AG00IKRD MDL No:
Product Description
Catalog Number:
AG00IKRD
Chemical Name:
8-oxa-5-azaspiro[3.5]nonane hemioxalate
CAS Number:
1523571-09-6
Molecular Formula:
C16H28N2O6
Molecular Weight:
344.4033
IUPAC Name:
8-oxa-5-azaspiro[3.5]nonane;oxalic acid
InChI:
InChI=1S/2C7H13NO.C2H2O4/c2*1-2-7(3-1)6-9-5-4-8-7;3-1(4)2(5)6/h2*8H,1-6H2;(H,3,4)(H,5,6)
InChI Key:
PCPDSHLMSFXNEY-UHFFFAOYSA-N
SMILES:
C1CNC2(CO1)CCC2.C1CNC2(CO1)CCC2.OC(=O)C(=O)O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.195g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
344.408g/mol
Monoisotopic Mass:
344.195g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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