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Home > Other Heterocycles > 1380571-72-1
1380571-72-1 | 6-Oxa-1-azaspiro[3.3]heptane, ethanedioate (2:1)
CAS No: 1380571-72-1 Catalog No: AG0017X3 MDL No:MFCD22373634
Product Description
Catalog Number:
AG0017X3
Chemical Name:
6-Oxa-1-azaspiro[3.3]heptane, ethanedioate (2:1)
CAS Number:
1380571-72-1
Molecular Formula:
C12H20N2O6
Molecular Weight:
288.2970
MDL Number:
MFCD22373634
IUPAC Name:
6-oxa-1-azaspiro[3.3]heptane;oxalic acid
InChI:
InChI=1S/2C5H9NO.C2H2O4/c2*1-2-6-5(1)3-7-4-5;3-1(4)2(5)6/h2*6H,1-4H2;(H,3,4)(H,5,6)
InChI Key:
UMKDEMSXCWMHRS-UHFFFAOYSA-N
SMILES:
C1CC2(N1)COC2.C1CC2(N1)COC2.OC(=O)C(=O)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
288.3g/mol
Monoisotopic Mass:
288.132g/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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