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Phenol,2,3,4,5,6-pentamethyl- | 2819-86-5

Product name:Phenol,2,3,4,5,6-pentamethyl-

CAS No:2819-86-5
MF:C11H16O
MW:164.24414
CID:260440
PubChem ID:17783
Names and Identifiers
  • Phenol,2,3,4,5,6-pentamethyl-
  • 2,3,4,5,6-Pentamethylphenol
  • HSDB 5900
  • NSC 46449
  • Pentamethylphenol
  • Phenol, pentamethyl-
  • PENTAMETHYLPHENOL
  • NSC-46449
  • NS00028438
  • 2,3,4,5,6-pentamethyl-phenol
  • AKOS002945293
  • 2,3,4,5,6-pentamethylphenol
  • EINECS 220-580-0
  • UNII-TP4085FL43
  • TP4085FL43
  • PENTAMETHYLPHENOL [HSDB]
  • NSC46449
  • EN300-3187585
  • DTXSID8062654
  • Q27290092
  • 2819-86-5
  • Phenol, 2,3,4,5,6-pentamethyl-
  • SCHEMBL397768
  • InChIKey:WALBTDFSFTVXII-UHFFFAOYSA-N
  • Inchi:InChI=1S/C11H16O/c1-6-7(2)9(4)11(12)10(5)8(6)3/h12H,1-5H3
  • SMILES:CC1C(C)=C(C)C(C)=C(C)C=1O
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 164.12018
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Rotatable Bond Count: 0
  • Monoisotopic Mass: 164.120115130g/mol
  • Heavy Atom Count: 12
  • Complexity: 139
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 3.4
  • Topological Polar Surface Area: 20.2Ų

Experimental Properties

  • PSA: 20.23
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