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Home > Other Heterocycles > 1523617-94-8
1523617-94-8 | 2-Azaspiro[3.4]octane; oxalic acid
CAS No: 1523617-94-8 Catalog No: AG00HY0Y MDL No:MFCD27988100
Product Description
Catalog Number:
AG00HY0Y
Chemical Name:
2-Azaspiro[3.4]octane; oxalic acid
CAS Number:
1523617-94-8
Molecular Formula:
C16H28N2O4
Molecular Weight:
312.4045
MDL Number:
MFCD27988100
IUPAC Name:
2-azaspiro[3.4]octane;oxalic acid
InChI:
InChI=1S/2C7H13N.C2H2O4/c2*1-2-4-7(3-1)5-8-6-7;3-1(4)2(5)6/h2*8H,1-6H2;(H,3,4)(H,5,6)
InChI Key:
ZFBQBCHFEOUKDG-UHFFFAOYSA-N
SMILES:
C1CCC2(C1)CNC2.C1CCC2(C1)CNC2.OC(=O)C(=O)O
Properties
Complexity:
158
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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