Cas no 82617-29-6 ((2,6-dimethyl-3-nitrophenyl)methanol)

(2,6-dimethyl-3-nitrophenyl)methanol structure
82617-29-6 structure
Product Name:(2,6-dimethyl-3-nitrophenyl)methanol
CAS No:82617-29-6
MF:C9H11NO3
MW:181.188542604446
CID:687409
PubChem ID:10487641
Update Time:2025-04-19

(2,6-dimethyl-3-nitrophenyl)methanol Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanol, 2,6-dimethyl-3-nitro-
    • (2,6-dimethyl-3-nitrophenyl)methanol
    • 82617-29-6
    • IBWKCPDCFMRCQJ-UHFFFAOYSA-N
    • 2,6-dimethyl-3-nitrobenzyl alcohol
    • EN300-119887
    • DTXSID80440687
    • J-507503
    • Z1255448251
    • SCHEMBL1584530
    • 2,6-Dimethyl-3-nitro-benzenemethanol
    • AKOS027367469
    • (2,6-dimethyl-3-nitro-phenyl)-methanol
    • 2,6- dimethyl-3-nitrobenzyl alcohol
    • 2,6-dimethyl-3-nitrobenzene-1-methanol
    • Inchi： 1S/C9H11NO3/c1-6-3-4-9(10(12)13)7(2)8(6)5-11/h3-4,11H,5H2,1-2H3
    • InChI Key： IBWKCPDCFMRCQJ-UHFFFAOYSA-N
    • SMILES： OCC1C(C)=CC=C(C=1C)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 181.07389321g/mol
  • Monoisotopic Mass: 181.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 190
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 66?2

(2,6-dimethyl-3-nitrophenyl)methanol Pricemore >>

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1PlusChem
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