Cas no 57705-61-0 ((1S,2S)-2-methylcyclobutane-1-carboxylic acid)

(1S,2S)-2-methylcyclobutane-1-carboxylic acid structure
57705-61-0 structure
Product Name:(1S,2S)-2-methylcyclobutane-1-carboxylic acid
CAS No:57705-61-0
MF:C6H10O2
MW:114.142402172089
CID:344510
PubChem ID:13214070
Update Time:2025-04-19

(1S,2S)-2-methylcyclobutane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Cyclobutanecarboxylic acid, 2-methyl-, trans-
    • (1S,2S)-2-methylcyclobutane-1-carboxylic acid
    • SCHEMBL14087178
    • (1R,2R)-2-Methylcyclobutane-1-carboxylic acid
    • 57705-61-0
    • DTXSID00528613
    • rac-(1R,2R)-2-methylcyclobutane-1-carboxylic acid
    • EN300-1165870
    • AKOS006379470
    • Inchi: 1S/C6H10O2/c1-4-2-3-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5-/m1/s1
    • InChI Key: ZQUWTFVQYAVBJZ-RFZPGFLSSA-N
    • SMILES: OC([C@@H]1CC[C@H]1C)=O

Computed Properties

  • Exact Mass: 114.0681
  • Monoisotopic Mass: 114.068079557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 109
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

(1S,2S)-2-methylcyclobutane-1-carboxylic acid Pricemore >>

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