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Home> Hot Product Listed F   > F6007-0250
631-89-0 structure

F6007-0250

Iupac Name:[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,
6,8-tetraenyl] (9Z,12Z)-octadeca-9,12-dienoate
CAS No.:631-89-0
Molecular Weight:548.8818
Molecular Formula:C18H20N6O (isomer)
Names and Identifiers
Synonyms

AKOS024528941 MCULE-5276289227 MOLPORT-009-749-807 n-(2-(3-(2,4-dimethylthiazol-5-yl)-6-oxopyridazin-1(6h)-yl)ethyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide VU0529391-1 ZINC49030824

Inchi
InChI=1/C38H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-37(39)40-32-30-34(3)25-22-24-33(2)28-29-36-35(4)26-23-31-38(36,5)6/h11-12,14-15,22,24-25,28-30H,7-10,13,16-21,23,26-27,31-32H2,1-6H3/b12-11-,15-14-,25-22+,29-28+,33-24-,34-30-
Canonical Smiles
CCCCCC=CCC=CCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C
Isomers Smiles
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC/C=C(/C)\C=C\C=C(\C)/C=C/C1=C(CCCC1(C)C)C
Properties
Refractive Index
1.519
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:548.8818g/mol
  • Molecular Formula:C18H20N6O
  • XLogP3-AA:13
  • Exact Mass:548.459331
  • Monoisotopic Mass:548.459331
  • Complexity:917
  • Rotatable Bond Count:21
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3
  • Heavy Atom Count:40
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:6
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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