Cas no 18951-89-8 (tube1379)

tube1379 structure
tube1379 structure
Product Name:tube1379
CAS No:18951-89-8
MF:C7H14O3
MW:146.184262752533
CID:5600474
PubChem ID:55303474
Update Time:2023-08-23

tube1379 Chemical and Physical Properties

Names and Identifiers

    • tube1379
    • Hexanoic acid, 6-hydroxy-3-methyl-, (R)-(+)- (8CI)
    • (3R)-6-hydroxy-3-methylhexanoic acid
    • SCHEMBL9460828
    • EN300-7640915
    • AKOS006387269
    • 18951-89-8
    • (R)-3-Methyl-6-hydroxyhexanoic acid
    • Inchi: 1S/C7H14O3/c1-6(3-2-4-8)5-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)/t6-/m1/s1
    • InChI Key: ICELWQDCXZXRBH-ZCFIWIBFSA-N
    • SMILES: C(O)(=O)C[C@H](C)CCCO

Computed Properties

  • Exact Mass: 146.094294304g/mol
  • Monoisotopic Mass: 146.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 101
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.5
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • Density: 1.070±0.06 g/cm3(Predicted)
  • Boiling Point: 276.8±23.0 °C(Predicted)
  • pka: 4.76±0.10(Predicted)

tube1379 Pricemore >>

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