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Home> Hot Product Listed 4   > 4H-1-Benzopyran-4-one,5-hydroxy-7,8-dimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-
142818-02-8 structure

4H-1-Benzopyran-4-one,5-hydroxy-7,8-dimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-

Iupac Name:1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CAS No.:142818-02-8
Molecular Weight:236.194
Molecular Formula:C25H28N6O2 (isomer)
Names and Identifiers
Synonyms

IsoagecoryninF

Inchi
InChI=1S/C9H11F3N2O2/c1-8(2,3)14-6(9(10,11)12)5(4-13-14)7(15)16/h4H,1-3H3,(H,15,16)
InChkey
LBPZUNLSYYEDFB-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)N1C(=C(C=N1)C(=O)O)C(F)(F)F
Properties
Melting Point
115-117°C
Boiling Point
291.4°C at 760 mmHg
Vapour
0.000369mmHg at 25°C
Refractive Index
1.483
Flash Point
271.7°C
Safety and Handling
HazardClass
IRRITANT
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:236.194g/mol
  • Molecular Formula:C25H28N6O2
  • Compound Is Canonicalized:True
  • Exact Mass:236.077
  • Monoisotopic Mass:236.077
  • Complexity:286
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Heavy Atom Count:16
  • 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
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