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Dimethyl(2,4-pentanedionato)thallium

HCID 5492964
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Basic information

CAS
15350-61-5
Standard SMILES
CC(=O)/C=C(/C)[O-].[CH3-].[CH3-].[Tl+3]
InChIKey
CIGJPPDSFUCGPJ-FGSKAQBVSA-M
Molecular formula
C7H13O2Tl
Average molar mass
333.56 g/mol
Monoisotopic mass
334.06598

Names & identifiers

Preferred name
Dimethyl(2,4-pentanedionato)thallium
IUPAC
carbanide;(Z)-4-oxopent-2-en-2-olate;thallium(3+)

Names & synonyms

Dimethyl(2,4-pentanedionato)thalliumThallium, dimethyl(2,4-pentanedionato)-2,4-Pentanedione, dimethylthallium deriv.Thallium, dimethyl(2,4-pentanedionato-O,O')-, (T-4)-15350-61-5

Database identifiers

CAS
15350-61-5
PubChem CID
5492964

Properties

Computed structural properties

Topological polar surface area
40.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
90.4

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Compound notes

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