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95999-91-0 | 5-VINYL-2-OXA-7,9-DIAZABICYCLO[4.2.2]DECANE-8,10-DIONE
CAS No: 95999-91-0 Catalog No: AG0069N8 MDL No:
Product Description
Catalog Number:
AG0069N8
Chemical Name:
5-VINYL-2-OXA-7,9-DIAZABICYCLO[4.2.2]DECANE-8,10-DIONE
CAS Number:
95999-91-0
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
IUPAC Name:
5-ethenyl-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione
InChI:
InChI=1S/C9H12N2O3/c1-2-5-3-4-14-9-8(13)10-6(5)7(12)11-9/h2,5-6,9H,1,3-4H2,(H,10,13)(H,11,12)
InChI Key:
DSJPMDJQJOPXDT-UHFFFAOYSA-N
SMILES:
C=CC1CCOC2C(=O)NC1C(=O)N2
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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