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Home> Hot Product Listed R   > Ruthenocene, acetyl-
6976-83-6 structure

Ruthenocene, acetyl-

Iupac Name:(Z)-2-cyano-3-(hexylcarbamoylamino)prop-2-enamide
CAS No.:6976-83-6
Molecular Weight:238.291
Molecular Formula:C17H20N4NAO9P (isomer)
Names and Identifiers
Synonyms

1-acetylruthenocene 1-cyclopenta-2,4-dien-1-ylideneethanolate acetylruthenocene cyclopenta-1,3-diene HE306369 ruthenium(2+) Ruthenium, (acetylcyclopentadienyl)cyclopentadienyl- (6CI,7CI) Ruthenium,(acetyl-p-cyclopentadienyl)-p-cyclopentadienyl- (8CI) VBYCTJUHFQAMES-UHFFFAOYSA-N

Inchi
InChI=1S/C11H18N4O2/c1-2-3-4-5-6-14-11(17)15-8-9(7-12)10(13)16/h8H,2-6H2,1H3,(H2,13,16)(H2,14,15,17)/b9-8-
InChkey
JOARCWBNIVDPSK-HJWRWDBZSA-N
Canonical Smiles
CCCCCCNC(=O)NC=C(C#N)C(=O)N
Properties
Density
1.325
Boiling Point
951.6°Cat760mmHg
Refractive Index
1.51
Computational chemical data
  • Molecular Weight:238.291g/mol
  • Molecular Formula:C17H20N4NAO9P
  • Compound Is Canonicalized:True
  • Exact Mass:238.143
  • Monoisotopic Mass:238.143
  • Complexity:341
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:108A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBzsAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADADBgAQDAALAAACY BgFWUACgAAAAAAAAAIEIAECAgAIAgAAEAAAIFgIAAMEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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