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Home > Other Heterocycles > 1159599-99-1
1159599-99-1 | 2-Oxa-6-azaspiro[3.3]heptane, ethanedioate (1:1)
CAS No: 1159599-99-1 Catalog No: AG000H7I MDL No:MFCD11976178
Product Description
Catalog Number:
AG000H7I
Chemical Name:
2-Oxa-6-azaspiro[3.3]heptane, ethanedioate (1:1)
CAS Number:
1159599-99-1
Molecular Formula:
C7H11NO5
Molecular Weight:
189.1659
MDL Number:
MFCD11976178
IUPAC Name:
2-oxa-6-azaspiro[3.3]heptane;oxalic acid
InChI:
InChI=1S/C5H9NO.C2H2O4/c1-5(2-6-1)3-7-4-5;3-1(4)2(5)6/h6H,1-4H2;(H,3,4)(H,5,6)
InChI Key:
KOUVDKDABFOPIG-UHFFFAOYSA-N
SMILES:
N1CC2(C1)COC2.OC(=O)C(=O)O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
189.167g/mol
Monoisotopic Mass:
189.064g/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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