Home Other Building Blocks 6-Oxa-1-azaspiro[3.3]heptane oxalate

6-Oxa-1-azaspiro[3.3]heptane oxalate

CAS No.:
1359655-43-8
Catalog Number:
AG00A094
Molecular Formula:
C7H11NO5
Molecular Weight:
189.1659
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Product Description
Catalog Number:
AG00A094
Chemical Name:
6-Oxa-1-azaspiro[3.3]heptane oxalate
CAS Number:
1359655-43-8
Molecular Formula:
C7H11NO5
Molecular Weight:
189.1659
MDL Number:
MFCD21364487
IUPAC Name:
6-oxa-1-azaspiro[3.3]heptane;oxalic acid
InChI:
InChI=1S/C5H9NO.C2H2O4/c1-2-6-5(1)3-7-4-5;3-1(4)2(5)6/h6H,1-4H2;(H,3,4)(H,5,6)
InChI Key:
ZKXFHPOIDKRDSZ-UHFFFAOYSA-N
SMILES:
C1CC2(N1)COC2.OC(=O)C(=O)O
Properties
Complexity:
160  
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
Properties