Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 2   > 2-Isopropyl-3-[4-methoxy-3-(3-methoxypropoxy)phenyl]acrylic acid
60246-78-8 structure

2-Isopropyl-3-[4-methoxy-3-(3-methoxypropoxy)phenyl]acrylic acid

Iupac Name:2-(3,4-dimethoxyphenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
CAS No.:60246-78-8
EINECS(EC#): 1308068-626-2
Molecular Weight:375.486
Molecular Formula:C19H17NO2 (isomer)
Names and Identifiers
Synonyms

Butanoic acid, 2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methylene]-3-methyl-, (2E)-

Inchi
InChI=1S/C23H21NO2S/c1-25-20-13-12-17(14-21(20)26-2)23-15-19(16-8-4-3-5-9-16)24-18-10-6-7-11-22(18)27-23/h3-14,23H,15H2,1-2H3
InChkey
JRNZNKVMGWUEKL-UHFFFAOYSA-N
Canonical Smiles
COC1=C(C=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=CC=C4)OC
Properties
Boiling Point
87-88 °C11 mm Hg(lit.)
Refractive Index
1.616
Flash Point
142.5 ºC
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:375.486g/mol
  • Molecular Formula:C19H17NO2
  • Compound Is Canonicalized:True
  • Exact Mass:375.129
  • Monoisotopic Mass:375.129
  • Complexity:505
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
<