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Home> Hot Product Listed P   > Poly(oxy-1,4-butanediyl),a-acetyl-w-(acetyloxy)-
61252-00-4 structure

Poly(oxy-1,4-butanediyl),a-acetyl-w-(acetyloxy)-

Iupac Name:ethyl 3-(4-aminophenyl)-3-oxopropanoate
CAS No.:61252-00-4
Molecular Weight:207.229
Molecular Formula:C35H68O4 (isomer)
Names and Identifiers
Synonyms

Glycols,polytetramethylene, diacetate (8CI) Poly(tetrahydrofuran) diacetate Polybutylene glycol diacetate Polytetramethylene glycol diacetate

Inchi
InChI=1S/C11H13NO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7,12H2,1H3
InChkey
WZNJZROGRIBUEH-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)CC(=O)C1=CC=C(C=C1)N
Properties
Density
1.051
Boiling Point
280.3°C at 760 mmHg
Refractive Index
1.55
Flash Point
226.3°C
Computational chemical data
  • Molecular Weight:207.229g/mol
  • Molecular Formula:C35H68O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.2
  • Exact Mass:207.09
  • Monoisotopic Mass:207.09
  • Complexity:232
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:69.4A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAADAyhmAIyyIBABACI AqTSSACCAAAkAgAIiAEAZMgIIDaIlZGCIQBksAAIyYeYyaCeCAAAAAAAAAAQAAAAAAAAAAAAAAAA AA==
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