Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed S   > STOCK1S-18571
17502-28-2 structure

STOCK1S-18571

Iupac Name:2-hydroxycyclopentane-1-carboxylic acid
CAS No.:17502-28-2
Molecular Weight:130.143
Molecular Formula:C19H16N4O2S (isomer)
Names and Identifiers
Synonyms

2-(1-methyl-1,3-benzodiazol-2-yl)-3-oxo-3-(2,3,4,5,6-pentafluorophenyl)propanenitrile 2-(1-methyl-1h-benzimidazol-2-yl)-3-oxo-3-(pentafluorophenyl)propanenitrile 2-(1-methylbenzimidazol-2-yl)-3-oxo-3-(2,3,4,5,6-pentafluorophenyl)propanenitrile AC1MWKX0 AKOS022122134 c17h8f5n3o MCULE-1215113043 MOLPORT-002-541-670 STL323130

Inchi
InChI=1S/C6H10O3/c7-5-3-1-2-4(5)6(8)9/h4-5,7H,1-3H2,(H,8,9)
InChkey
VCHGSWURBGPKQZ-UHFFFAOYSA-N
Canonical Smiles
C1CC(C(C1)O)C(=O)O
Isomers Smiles
C1C[C@H]([C@H](C1)O)C(=O)[O-]
Properties
Melting Point
53℃
Vapour
0.00014mmHg at 25°C
Refractive Index
1.54
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:130.143g/mol
  • Molecular Formula:C19H16N4O2S
  • Compound Is Canonicalized:True
  • Exact Mass:130.063
  • Monoisotopic Mass:130.063
  • Complexity:122
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:57.5A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • 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: AAADccBgMAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAGgAACAAADRSggAIACAAAAgAI AACQCAAAAAAAAAAAAAEAAAAAEBYAAAAAQAAFIAAAAAGISAAOAAAAAAAAAAAAAAAAAAAAAAAABAAA AA==
Recommended Suppliers
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:+86-010-84816347
  • Fax:+86-010-84819719
  • Tel:86-021-51601795
  • Fax:86-021-33250189
Recommended Suppliers
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:+86-010-84816347
  • Fax:+86-010-84819719
  • Tel:86-021-51601795
  • Fax:86-021-33250189
 
<