Cas no 2413868-20-7 ((4-tert-butyl-1,2-oxazol-3-yl)methanol)

(4-tert-butyl-1,2-oxazol-3-yl)methanol structure
2413868-20-7 structure
Product Name:(4-tert-butyl-1,2-oxazol-3-yl)methanol
CAS No:2413868-20-7
MF:C8H13NO2
MW:155.194322347641
MDL:MFCD32663251
CID:5673848
PubChem ID:146050088
Update Time:2023-11-27

(4-tert-butyl-1,2-oxazol-3-yl)methanol Chemical and Physical Properties

Names and Identifiers

    • 3-Isoxazolemethanol, 4-(1,1-dimethylethyl)-
    • (4-(tert-Butyl)isoxazol-3-yl)methanol
    • SCHEMBL22315675
    • AT19855
    • (4-tert-butyl-1,2-oxazol-3-yl)methanol
    • 2413868-20-7
    • EN300-26620157
    • MDL： MFCD32663251
    • Inchi： 1S/C8H13NO2/c1-8(2,3)6-5-11-9-7(6)4-10/h5,10H,4H2,1-3H3
    • InChI Key： DTVRBPPVWGIASN-UHFFFAOYSA-N
    • SMILES： O1C=C(C(C)(C)C)C(CO)=N1

Computed Properties

  • Exact Mass: 155.094628657g/mol
  • Monoisotopic Mass: 155.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 131
  • 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: 1.2
  • Topological Polar Surface Area: 46.3?2

Experimental Properties

  • Density: 1.063±0.06 g/cm3(Predicted)
  • Boiling Point: 248.9±25.0 °C(Predicted)
  • pka: 13.18±0.10(Predicted)

(4-tert-butyl-1,2-oxazol-3-yl)methanol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
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 2413868-20-7 95.0%
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Enamine
EN300-26620157-5.0g
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Enamine
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1PlusChem
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