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77774-46-0 | 11-Oxa-2,3,8,9-tetraazadispiro[4.0.4.1]undecane(9CI)
CAS No: 77774-46-0 Catalog No: AG0057S4 MDL No:
Product Description
Catalog Number:
AG0057S4
Chemical Name:
11-Oxa-2,3,8,9-tetraazadispiro[4.0.4.1]undecane(9CI)
CAS Number:
77774-46-0
Molecular Formula:
C6H12N4O
Molecular Weight:
156.1857
IUPAC Name:
11-oxa-2,3,8,9-tetrazadispiro[4.0.46.15]undecane
InChI:
InChI=1S/C6H12N4O/c1-5(2-8-7-1)6(11-5)3-9-10-4-6/h7-10H,1-4H2
InChI Key:
OHDHKXUZPLNDLH-UHFFFAOYSA-N
SMILES:
N1NCC2(C1)OC12CNNC1
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.101g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
156.189g/mol
Monoisotopic Mass:
156.101g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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