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1392803-05-2

1392803-05-2 | 1,4,8-Trioxaspiro[4.5]decan-6-amine, ethanedioate (1:1)

CAS No: 1392803-05-2 Catalog No: AG001ANP MDL No:MFCD22573370

Product Description

Catalog Number:
AG001ANP
Chemical Name:
1,4,8-Trioxaspiro[4.5]decan-6-amine, ethanedioate (1:1)
CAS Number:
1392803-05-2
Molecular Formula:
C9H15NO7
Molecular Weight:
249.2179
MDL Number:
MFCD22573370
IUPAC Name:
oxalic acid;1,4,8-trioxaspiro[4.5]decan-6-amine
InChI:
InChI=1S/C7H13NO3.C2H2O4/c8-6-5-9-2-1-7(6)10-3-4-11-7;3-1(4)2(5)6/h6H,1-5,8H2;(H,3,4)(H,5,6)
InChI Key:
YVAAUEAJWRKVMP-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.NC1COCCC21OCCO2

Properties

Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.085g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
249.219g/mol
Monoisotopic Mass:
249.085g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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