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Home> Encyclopedia > Hot Product Listed 2   > 2-Butenoic acid,4-[2-(3-hydroxybutyl)-1,3-dioxolan-2-yl]-
927800-39-3 structure

2-Butenoic acid,4-[2-(3-hydroxybutyl)-1,3-dioxolan-2-yl]-

Iupac Name:8-bromo-2-propyl-1H-quinolin-4-one
CAS No.:927800-39-3
Molecular Weight:266.138
Molecular Formula:C13H18O3 (isomer)
Names and Identifiers
Synonyms

2-Butenoic acid, 4-(2-(3-hydroxybutyl)-1,3-dioxolan-2-yl)- 4-(2-(3-hydroxybutyl)-1,3-dioxolan-2-yl)-2-butenoic acid 4-[2-(3-hydroxybutyl)-1,3-dioxolan-2-yl]but-2-enoic acid CTK5E2557 HE102188

Inchi
InChI=1S/C12H12BrNO/c1-2-4-8-7-11(15)9-5-3-6-10(13)12(9)14-8/h3,5-7H,2,4H2,1H3,(H,14,15)
InChkey
XLZLSNDAOULKMX-UHFFFAOYSA-N
Canonical Smiles
CCCC1=CC(=O)C2=C(N1)C(=CC=C2)Br
Properties
Boiling Point
392.9°C at 760 mmHg
Refractive Index
1.65
Flash Point
126.4°C
Computational chemical data
  • Molecular Weight:266.138g/mol
  • Molecular Formula:C13H18O3
  • Compound Is Canonicalized:True
  • Exact Mass:265.01
  • Monoisotopic Mass:265.01
  • Complexity:287
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:29.1A^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: AAADccByIAAAEAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgBQAAABrAyBmAAywILAAACI AqRSQACCAAAlAgQIiAEAROgIIDrAlZGEIYhgkADIy9cYiICOAAAAEAACAAgAAAAgAAQAEAAAAAAA AA==
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