Cas no 107757-05-1 ((3-Methyl-5-nitrophenyl)methanol)

(3-Methyl-5-nitrophenyl)methanol structure
107757-05-1 structure
Product Name:(3-Methyl-5-nitrophenyl)methanol
CAS No:107757-05-1
MF:C8H9NO3
MW:167.161962270737
MDL:MFCD18399653
CID:1036292
PubChem ID:14033015
Update Time:2025-04-20

(3-Methyl-5-nitrophenyl)methanol Chemical and Physical Properties

Names and Identifiers

    • (3-Methyl-5-nitrophenyl)methanol
    • 3-methyl-5-nitroBenzenemethanol
    • 3-Methyl-5-nitrobenzyl alcohol
    • 1594AA
    • 1593AA
    • FCH1173031
    • AS05993
    • CM13447
    • AK128720
    • AX8250782
    • DTXSID70554742
    • BS-14283
    • SCHEMBL10155626
    • EN300-7402814
    • Benzenemethanol, 3-methyl-5-nitro-
    • 107757-05-1
    • Z1255445791
    • CS-0130738
    • AKOS016000845
    • MFCD18399653
    • DA-20273
    • MDL： MFCD18399653
    • Inchi： 1S/C8H9NO3/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-4,10H,5H2,1H3
    • InChI Key： IVYZQNHRDOGBHH-UHFFFAOYSA-N
    • SMILES： OCC1C=C(C=C(C)C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 167.058243149g/mol
  • Monoisotopic Mass: 167.058243149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 166
  • 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
  • Topological Polar Surface Area: 66
  • XLogP3: 1.2

Experimental Properties

  • Density: 1.272±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 56.8-57.9 oC
  • Solubility: Slightly soluble (3.3 g/l) (25 o C),

(3-Methyl-5-nitrophenyl)methanol Pricemore >>

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