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Home> Hot Product Listed N   > n-(1,3-dimethyl-1h-pyrazol-5-yl)-2-({[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}sulfanyl)acetamide
2611-00-9 structure

n-(1,3-dimethyl-1h-pyrazol-5-yl)-2-({[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}sulfanyl)acetamide

Iupac Name:cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate
CAS No.:2611-00-9
Molecular Weight:220.312
Molecular Formula:C14H16N4O2 (isomer)
Names and Identifiers
Synonyms

MCULE-1259580742 MOLPORT-019-673-104 Z951856676 ZINC61157930

Inchi
InChI=1S/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-3,5,12-13H,4,6-11H2
InChkey
FJPFRSQDAFMEKD-UHFFFAOYSA-N
Canonical Smiles
C1CC(CC=C1)COC(=O)C2CCC=CC2
Properties
Vapour
0.000912mmHg at 25°C
Refractive Index
1.507
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:220.312g/mol
  • Molecular Formula:C14H16N4O2
  • Compound Is Canonicalized:True
  • Exact Mass:220.146
  • Monoisotopic Mass:220.146
  • Complexity:291
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3A^2
  • Heavy Atom Count:16
  • 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: AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAgQAAAAAAAAAAAAAAAGgAAAAAADQCggAIACAAABACI ACDSCAAAAAAgAAAICAEAAAgAABIAAQACAAAEgAAIAAOIAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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