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Home> Hot Product Listed 2   > 2-Propenoic acid,2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-methylethyl]phenoxy]ethyl ester
85721-33-1 structure

2-Propenoic acid,2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-methylethyl]phenoxy]ethyl ester

Iupac Name:1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CAS No.:85721-33-1
Molecular Weight:331.347
Molecular Formula:C15H10CL2O (isomer)
Names and Identifiers
Synonyms

2-(4-(1-(4-(2-hydroxyethoxy)phenyl)-1-methylethyl)phenoxy)ethyl acrylate 2,2-Bis[4-(2-hydroxyethoxy)phenyl]propylmonoacrylate 2-[4-[1-[4- phenyl]-1-methylethyl]phenoxy]ethylacrylate 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-methylethyl]phenoxy]ethyl acrylate 2-[4-[2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate acrylic acid 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-methylethyl]phenoxy]ethyl ester einecs 276-281-0 OR070654 SCHEMBL10871622

Inchi
InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
InChkey
MYSWGUAQZAJSOK-UHFFFAOYSA-N
Canonical Smiles
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O
Properties
Density
1.288
Melting Point
255-257oC
Flash Point
275.5°C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
26-36
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:331.347g/mol
  • Molecular Formula:C15H10CL2O
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1.1
  • Exact Mass:331.133
  • Monoisotopic Mass:331.133
  • Complexity:571
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:72.9A^2
  • Heavy Atom Count:24
  • 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: AAADceB7MQAAAAAAAAAAAAAAGAAAAAAAAAA8QIAAAAAAAACBAAAAHwAQCAAADCzBmAwwyIPAAgCI AqTWSACCAAAlAgAAiIEIZMgIZD7I1NGUYYhksADI2ceY2aOeCAAAAAQCAAAQAAAACAQAAAAAAAAA AA==
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