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Home > Other Heterocycles > 1403766-69-7
1403766-69-7 | 5-Azaspiro[3.4]octane oxalate
CAS No: 1403766-69-7 Catalog No: AG003A8N MDL No:MFCD23105787
Product Description
Catalog Number:
AG003A8N
Chemical Name:
5-Azaspiro[3.4]octane oxalate
CAS Number:
1403766-69-7
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
MDL Number:
MFCD23105787
IUPAC Name:
5-azaspiro[3.4]octane;oxalic acid
InChI:
InChI=1S/2C7H13N.C2H2O4/c2*1-3-7(4-1)5-2-6-8-7;3-1(4)2(5)6/h2*8H,1-6H2;(H,3,4)(H,5,6)
InChI Key:
CSOGJCFXGYETQI-UHFFFAOYSA-N
SMILES:
C1CC2(C1)CCCN2.OC(=O)C(=O)O
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.205g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
312.41g/mol
Monoisotopic Mass:
312.205g/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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