Cas no 105177-98-8 (Technetium-99Tc,tris(2,4-pentanedionato-O,O')-, (OC-6-11)- (9CI))
105177-98-8 structure
Product Name:Technetium-99Tc,tris(2,4-pentanedionato-O,O')-, (OC-6-11)- (9CI)
CAS No:105177-98-8
MF:C15H21O6Tc
MW:396.229902982712
CID:158817
PubChem ID:5492563
Update Time:2025-04-19
Technetium-99Tc,tris(2,4-pentanedionato-O,O')-, (OC-6-11)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Technetium-99Tc,tris(2,4-pentanedionato-O,O')-, (OC-6-11)- (9CI)
- (Z)-4-oxopent-2-en-2-olate,technetium-99
- technetium Tc 99m tris(2,4-pentanedionato)
- 2-penten-2-olate, 4-oxo-, (2Z)-, technetium-~99~Tc salt
- Tc-99m-(Acac)3
- Tc-99m-Tris(2,4-pentanedionato)
- Technetium tris(2,4-pentanedionate)
- 105177-98-8
- (Z)-4-oxopent-2-en-2-olate;technetium-99
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- Inchi： 1S/3C5H8O2.Tc/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/p-3/b3*4-3-;/i;;;1+1
- InChI Key： IHBHFYYEMMKKFF-SLSFVHHISA-K
- SMILES： [99Tc].[O-]/C(/C)=C\C(C)=O.[O-]/C(/C)=C\C(C)=O.[O-]/C(/C)=C\C(C)=O
Computed Properties
- Exact Mass: 396.040068
- Monoisotopic Mass: 396.040068
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 90.4
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 120
Experimental Properties
- Boiling Point: 187.6°C at 760 mmHg
- Flash Point: 71.9°C
Technetium-99Tc,tris(2,4-pentanedionato-O,O')-, (OC-6-11)- (9CI) Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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