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Home> Hot Product Listed T   > T6631447
12080-32-9 structure

T6631447

Iupac Name:(1Z,5Z)-cycloocta-1,5-diene;dichloroplatinum
CAS No.:12080-32-9
Molecular Weight:374.168
Molecular Formula:C19H19NO4 (isomer)
Names and Identifiers
Synonyms

MCULE-2141524170 MOLPORT-009-151-770 n-[1-(4-nitrophenyl)piperidin-4-yl]benzamide Z219376070 ZINC48278721

Inchi
InChI=1S/C8H12.2ClH.Pt/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2/b2-1-,8-7-;;;
InChkey
VVAOPCKKNIUEEU-PHFPKPIQSA-L
Canonical Smiles
C1CC=CCCC=C1.Cl[Pt]Cl
Isomers Smiles
C1/C=C\CC/C=C\C1.[Cl-].[Cl-].[Pt+2]
Properties
Melting Point
285℃ (dec.)
Vapour
4.25mmHg at 25°C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 12080-32-9 EC: T6631447 ·ECHA C&L Inventory for CAS: CAS: 12080-32-9 EC: T6631447
Computational chemical data
  • Molecular Weight:374.168g/mol
  • Molecular Formula:C19H19NO4
  • Compound Is Canonicalized:True
  • Exact Mass:372.996
  • Monoisotopic Mass:372.996
  • Complexity:75.4
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:2
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccBwAAAGAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAGAAAAAAACACAAAAAAAAAAACA ACBCAAAAAAAgAAAICAAAAAgAAAAAAQAAAAAAgAAIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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