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Home> Hot Product Listed S   > STOCK3S-30375
1002-33-1 structure

STOCK3S-30375

CAS No.:1002-33-1
Molecular Weight:110.19676
Molecular Formula:C25H21N3O7 (isomer)
Names and Identifiers
Synonyms

3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2h-pyrrol-5-one 4-(1-benzofuran-2-carbonyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-5h-pyrrol-2-one 4-(benzo[d]furan-2-ylcarbonyl)-5-[4-(tert-butyl)phenyl]-3-hydroxy-1-(3-morphol in-4-ylpropyl)-3-pyrrolin-2-one AC1MPF1O AKOS002182640 AKOS016079492 MOLPORT-000-229-796 ST50075285

Inchi
InChI=1/C8H14/c1-3-5-7-8-6-4-2/h3,5,7H,1,4,6,8H2,2H3
InChkey
QTYUSOHYEPOHLV-UHFFFAOYSA-N
Canonical Smiles
CCCCC=CC=C
Isomers Smiles
CCCC/C=C/C=C
Properties
Vapour
13.4mmHg at 25°C
Refractive Index
1.434
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:110.19676g/mol
  • Molecular Formula:C25H21N3O7
  • Exact Mass:110.10955
  • Monoisotopic Mass:110.10955
  • Complexity:70.1
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count:8
  • 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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