Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed A   > AKOS027449473
64190-52-9 structure

AKOS027449473

Iupac Name:(4S,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CAS No.:64190-52-9
Molecular Weight:212.333
Molecular Formula:C9H10O3 (isomer)
Names and Identifiers
Synonyms

1198210-86-4 5-hydroxy-3-phenyl-1h-pyrazole-4-carboxylic acid ethyl ester AK524004 ethyl 3-oxo-5-phenyl-2,3-dihydro-1h-pyrazole-4-carboxylate ethyl 5-hydroxy-3-phenyl-1h-pyrazole-4-carboxylate ZINC137907092

Inchi
InChI=1S/C13H24O2/c1-9(8-14)10-5-6-11-12(15)4-3-7-13(10,11)2/h9-12,14-15H,3-8H2,1-2H3/t9-,10?,11?,12+,13-/m1/s1
InChkey
FUBPRYXDIHQLGH-RXDNMWQFSA-N
Canonical Smiles
CC(CO)C1CCC2C1(CCCC2O)C
Properties
Melting Point
108-110 °C
Refractive Index
1.517
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:212.333g/mol
  • Molecular Formula:C9H10O3
  • Compound Is Canonicalized:True
  • Exact Mass:212.178
  • Monoisotopic Mass:212.178
  • Complexity:229
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:3
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBwMAAAAAAAAAAAAAAAAAAAAYAAAAAwAAAAAAAAAGAAAAAAGgAACAAADxSggAICAAAAAgAA AAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwPAPgAAAAAAAAAAAAAIAADAAAQAACAAA AA==
Recommended Suppliers
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:+86-571-88025872, 28272092, 28272096
  • Fax:
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:86-21-51696579
  • Fax:86-21-51687927
Recommended Suppliers
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:+86-571-88025872, 28272092, 28272096
  • Fax:
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:86-21-51696579
  • Fax:86-21-51687927
 
<