Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Others
STOCK7S-05763 structure
STOCK7S-05763 structure

STOCK7S-05763

Iupac Name:[1-(7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl)-3-oxobutyl] acetate
CAS No.:153483-31-9
Molecular Weight:306.35358
1. Names and Identifiers
1.1 Name
STOCK7S-05763
1.2 Synonyms

(2s)-2-{2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamido}-3-methylbutanoic acid AKOS016376608 BG00678924 MCULE-8209580783 MOLPORT-009-650-481 ZINC49545726

1.3 CAS No.
153483-31-9
1.4 CID
160533
1.5 Molecular Formula
C18H19N3O2S (isomer)
1.6 Inchi
InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3
1.7 InChkey
DPSCQKGSAHTWSP-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1CC2C(CC=C1C(CC(=O)C)OC(=O)C)C(=C)C(=O)O2
1.9 Isomers Smiles
CC1CC2C(CC=C1C(CC(=O)C)OC(=O)C)C(=C)C(=O)O2
2. Properties
3.1 Refractive index
1.512
3. 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

4. Computational chemical data
  • Molecular Weight:306.35358g/mol
  • Molecular Formula:C18H19N3O2S
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.4
  • Exact Mass:306.14672380
  • Monoisotopic Mass:306.14672380
  • Complexity:545
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:69.7
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:4
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
5. Recommended Suppliers
Global8SuppliersView all >>
  • Products:API, Pharmaceutical intermediates, photoelectronic Materials
  • Tel:86-21-60542966
Xanthinin
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/gram
  • Time: 2017/06/28
Inquire
  • Tel:86-431-81915458
Xanthinin
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/25
Inquire
  • Tel:+86-0311-66562153
Xanthinin
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/23
Inquire
  • Tel:+86-21-67811725
Xanthinin manufacturer
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/23
Inquire
  • Tel:+86-21-51320588 ext. 8025