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Home> Encyclopedia > Hot Product Listed 6   > 6-Octen-2-one,7-hydroxy-
6191-71-5 structure

6-Octen-2-one,7-hydroxy-

Iupac Name:(Z)-hept-4-en-1-ol
CAS No.:6191-71-5
Molecular Weight:114.188
Molecular Formula:C4H6N2OS (isomer)
Names and Identifiers
Synonyms

(6z)-7-hydroxyoct-6-en-2-one 6-Octen-2-one, 7-hydroxy- (9CI)

Inchi
InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h3-4,8H,2,5-7H2,1H3/b4-3-
InChkey
CUKAXHVLXKIPKF-ARJAWSKDSA-N
Canonical Smiles
CCC=CCCCO
Isomers Smiles
CC/C=C\CCCO
Properties
Refractive Index
n20/D 1.445
Safety and Handling
Risk Statements
10
Safety Statements
16
PackingGroup
III
Transport
1987
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:114.188g/mol
  • Molecular Formula:C4H6N2OS
  • Compound Is Canonicalized:True
  • Exact Mass:114.104
  • Monoisotopic Mass:114.104
  • Complexity:57.4
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.2A^2
  • Heavy Atom Count:8
  • 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: AAADccBgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgCA ACBCAAAAAAAgAAAICAAAAAgAEAAAAQAAQAAEgAAIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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