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77398-55-1

77398-55-1 | 8-Azaspiro[Bicyclo[3.2.1]Octane-3,4-Imidazolidine]-2,5-Dione

CAS No: 77398-55-1 Catalog No: AG00ICUL MDL No:MFCD28992169

Product Description

Catalog Number:
AG00ICUL
Chemical Name:
8-Azaspiro[Bicyclo[3.2.1]Octane-3,4-Imidazolidine]-2,5-Dione
CAS Number:
77398-55-1
Molecular Formula:
C9H14ClN3O2
Molecular Weight:
231.6794
MDL Number:
MFCD28992169
IUPAC Name:
spiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2',4'-dione;hydrochloride
InChI:
InChI=1S/C9H13N3O2.ClH/c13-7-9(12-8(14)11-7)3-5-1-2-6(4-9)10-5;/h5-6,10H,1-4H2,(H2,11,12,13,14);1H
InChI Key:
TYUMYKCCCUBODI-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)NC21CC1CCC(C2)N1.Cl

Properties

Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.077g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
231.68g/mol
Monoisotopic Mass:
231.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0

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