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Home> Encyclopedia > Hot Product Listed 2   > 2-Propenoic acid,2-methyl-, (2,4,5,6-tetrachloro-1,3-phenylene)bis(methylene) ester (9CI)
109909-44-6 structure

2-Propenoic acid,2-methyl-, (2,4,5,6-tetrachloro-1,3-phenylene)bis(methylene) ester (9CI)

Iupac Name:trisodium;[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
CAS No.:109909-44-6
EINECS(EC#): 245-433-8
Molecular Weight:533.102
Molecular Formula:C17H20O8 (isomer)
Names and Identifiers
Synonyms

(2,4,5,6-tetrachlorobenzene-1,3-diyl)dimethanediyl bis(2-methylprop-2-enoate) (tetrachloro-1,3-phenylene)bis(methylene) bismethacrylate (tetrachloro-1,3-phenylene)bis(methylene)bismethacrylate [2,3,4,6-tetrachloro-5-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate AC1L3RKE AC1Q3L1N bis(2-methylpropenoic acid)(2,4,5,6-tetrachloro-1,3-phenylene)bismethylene ester CTK5A8587 DTXSID60207316 einecs 261-358-3 OR072498 SCHEMBL11354266

Inchi
InChI=1S/C9H16N3O13P3.3Na/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17;;;/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17);;;/q;3*+1/p-3/t5-,6+,8+;;;/m0.../s1
InChkey
WBIPTAOOMJEGQO-MILVPLDLSA-K
Canonical Smiles
C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]
Properties
Density
1.115
Boiling Point
546.5°C at 760 mmHg
Flash Point
14.9°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:533.102g/mol
  • Molecular Formula:C17H20O8
  • Compound Is Canonicalized:True
  • Exact Mass:532.935
  • Monoisotopic Mass:532.935
  • Complexity:805
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:13
  • Topological Polar Surface Area:257A^2
  • Heavy Atom Count:31
  • Defined Atom Stereocenter Count:3
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:4
  • CACTVS Substructure Key Fingerprint: AAADccBzPDMAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAANABxCo QCJmdICAAAEAAgAIAAAYABCBEAIAgAAOQAAHFgIDAACwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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