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Home> Hot Product Listed 1   > 1-Penten-3-ol,2,4-dimethyl-
3336-65-0 structure

1-Penten-3-ol,2,4-dimethyl-

CAS No.:3336-65-0
Molecular Weight:169.18268
Molecular Formula:C21H13CL2N3O5 (isomer)
Names and Identifiers
Synonyms

2,4-DIMETHYL-1-PENTEN-2-OL 2,4-DIMETHYL-1-PENTEN-3-OL 2,4-DIMETHYL-1-PENTENE-3-OL 2,4-Dimethylpent-1-en-3-ol

Inchi
InChI=1/C10H7N3/c11-6-9(7-12)10(13)8-4-2-1-3-5-8/h1-5,9,13H/b13-10-
Canonical Smiles
C1=CC=C(C=C1)C(=N)C(C#N)C#N
Properties
Melting Point
178-180°C
Boiling Point
289.7°Cat760mmHg
Refractive Index
1.581
Flash Point
139.5°C
Computational chemical data
  • Molecular Weight:169.18268g/mol
  • Molecular Formula:C21H13CL2N3O5
  • Exact Mass:169.063997
  • Monoisotopic Mass:169.063997
  • Complexity:266
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:71.4
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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