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Home> Encyclopedia > Hot Product Listed 5   > 51247-58-6
7560-48-7 structure

51247-58-6

Iupac Name:methyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate
CAS No.:7560-48-7
Molecular Weight:205.253
Molecular Formula:C11H23N (isomer)
Names and Identifiers
Synonyms

4-sulpho-m-phenylenediammonium sulphate

Inchi
InChI=1/C12H15NO2/c1-13(2)11-7-4-10(5-8-11)6-9-12(14)15-3/h4-9H,1-3H3/b9-6+
Canonical Smiles
CN(C)C1=CC=C(C=C1)C=CC(=O)OC
Isomers Smiles
CN(C)C1=CC=C(C=C1)/C=C/C(=O)OC
Properties
Melting Point
137-138℃
Boiling Point
852.2°Cat760mmHg
Refractive Index
1.581
HS Code
2922499990
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:205.253g/mol
  • Molecular Formula:C11H23N
  • XLogP3-AA:2.7
  • Exact Mass:205.110279
  • Monoisotopic Mass:205.110279
  • Complexity:228
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:29.5
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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