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Home> Hot Product Listed P   > poly(diethyl methylidenemalonate)
90045-36-6 structure

poly(diethyl methylidenemalonate)

CAS No.:90045-36-6
Molecular Weight:346.37438
Molecular Formula:C5H12N2O4PT (isomer)
Names and Identifiers
Synonyms

Poly(demm) Propanedioic acid, methylene-, diethyl ester, homopolymer

Inchi
InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1
Canonical Smiles
CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O
Isomers Smiles
CC12C(=O)OC3(C4CCC(O)5C(CC4(C5)C(C(O)=O)C31)=C)/C=C\C2O
Properties
Density
1.099g/cm3
Melting Point
233-235 deg C (effervescence)
Flash Point
233.6°C
Safety and Handling
Safety Statements
Low toxicity by ingestion. intravenous route. Human systemic effects. When heated to decomposition it emits acrid smoke and irritating vapors.
Reach Info
Computational chemical data
  • Molecular Weight:346.37438g/mol
  • Molecular Formula:C5H12N2O4PT
  • XLogP3-AA:0.2
  • Exact Mass:346.141638
  • Monoisotopic Mass:346.141638
  • Complexity:772
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:104
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:8
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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