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Home > Other Heterocycles > 1638767-88-0
1638767-88-0 | 5-Azaspiro[2.3]hexane, ethanedioate (2:1)
CAS No: 1638767-88-0 Catalog No: AG001UHS MDL No:MFCD27664868
Product Description
Catalog Number:
AG001UHS
Chemical Name:
5-Azaspiro[2.3]hexane, ethanedioate (2:1)
CAS Number:
1638767-88-0
Molecular Formula:
C12H20N2O4
Molecular Weight:
256.2982
MDL Number:
MFCD27664868
IUPAC Name:
5-azaspiro[2.3]hexane;oxalic acid
InChI:
InChI=1S/2C5H9N.C2H2O4/c2*1-2-5(1)3-6-4-5;3-1(4)2(5)6/h2*6H,1-4H2;(H,3,4)(H,5,6)
InChI Key:
XLVQQCLHAATQTR-UHFFFAOYSA-N
SMILES:
N1CC2(C1)CC2.N1CC2(C1)CC2.OC(=O)C(=O)O
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
256.302g/mol
Monoisotopic Mass:
256.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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