Cas no 1547707-46-9 (2-(Hydroxymethyl)-1-(methylsulfanyl)cyclopropane-1-carboxylic acid)

2-(Hydroxymethyl)-1-(methylsulfanyl)cyclopropane-1-carboxylic acid structure
1547707-46-9 structure
Product Name:2-(Hydroxymethyl)-1-(methylsulfanyl)cyclopropane-1-carboxylic acid
CAS No:1547707-46-9
MF:C6H10O3S
MW:162.206800937653
CID:5711257
PubChem ID:82983881
Update Time:2023-10-17

2-(Hydroxymethyl)-1-(methylsulfanyl)cyclopropane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(hydroxymethyl)-1-(methylsulfanyl)cyclopropane-1-carboxylic acid
    • 1547707-46-9
    • 2-(hydroxymethyl)-1-(methylsulfanyl)cyclopropane-1-carboxylicacid
    • EN300-1153806
    • AKOS021303627
    • Cyclopropanecarboxylic acid, 2-(hydroxymethyl)-1-(methylthio)-
    • 2-(Hydroxymethyl)-1-(methylsulfanyl)cyclopropane-1-carboxylic acid
    • Inchi: 1S/C6H10O3S/c1-10-6(5(8)9)2-4(6)3-7/h4,7H,2-3H2,1H3,(H,8,9)
    • InChI Key: KBOKFTXWQUQTTK-UHFFFAOYSA-N
    • SMILES: S(C)C1(C(=O)O)CC1CO

Computed Properties

  • Exact Mass: 162.03506535g/mol
  • Monoisotopic Mass: 162.03506535g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 159
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0
  • Topological Polar Surface Area: 82.8?2

Experimental Properties

  • Density: 1.38±0.1 g/cm3(Predicted)
  • Boiling Point: 345.7±17.0 °C(Predicted)
  • pka: 4.19±0.50(Predicted)

2-(Hydroxymethyl)-1-(methylsulfanyl)cyclopropane-1-carboxylic acid Pricemore >>

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