Cas no 288848-24-8 ((1S,3R)-3-acetyl-2,2-dimethyl-cyclobutanecarboxylic acid)

(1S,3R)-3-acetyl-2,2-dimethyl-cyclobutanecarboxylic acid structure
288848-24-8 structure
Product Name:(1S,3R)-3-acetyl-2,2-dimethyl-cyclobutanecarboxylic acid
CAS No:288848-24-8
MF:C9H14O3
MW:170.205663204193
MDL:MFCD18829754
CID:1437461
PubChem ID:10630987
Update Time:2025-04-20

(1S,3R)-3-acetyl-2,2-dimethyl-cyclobutanecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Cyclobutanecarboxylic acid, 3-acetyl-2,2-dimethyl-, (1S,3R)-
    • (1S,3R)-3-acetyl-2,2-dimethyl-cyclobutanecarboxylic acid
    • Cyclobutanecarboxylic acid, 3-acetyl-2,2-dimethyl-, (1S,3R)- (9CI)
    • CS-0055522
    • MFCD18829754
    • 288848-24-8
    • rac-(1R,3S)-3-acetyl-2,2-dimethylcyclobutane-1-carboxylic acid
    • cis-3-acetyl-2,2-dimethyl-cyclobutanecarboxylic acid
    • (1S,3R)-3-acetyl 2,2-dimethylcyclobutane carboxylic acid
    • EN300-252751
    • (-)-cis-3-acetyl-2,2-dimethylcyclobutanecarboxylic acid
    • (1S,3R)-3-acetyl-2,2-dimethylcyclobutanecarboxylic acid
    • P12473
    • Z2289769705
    • AS-78926
    • SCHEMBL963070
    • 28587-41-9
    • (1S,3R)-3-acetyl-2,2-dimethylcyclobutanecarboxylicacid
    • EN300-89054
    • AKOS026727976
    • VZUKBNZKASVATD-NKWVEPMBSA-N
    • (1S,3R)-3-acetyl-2,2-dimethylcyclobutane-1-carboxylic acid
    • DTXSID70442670
    • (-)-cis Pinononic acid
    • MDL: MFCD18829754
    • Inchi: 1S/C9H14O3/c1-5(10)6-4-7(8(11)12)9(6,2)3/h6-7H,4H2,1-3H3,(H,11,12)/t6-,7+/m0/s1
    • InChI Key: VZUKBNZKASVATD-NKWVEPMBSA-N
    • SMILES: OC([C@H]1C[C@@H](C(C)=O)C1(C)C)=O

Computed Properties

  • Exact Mass: 170.09432
  • Monoisotopic Mass: 170.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 230
  • 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: 0.8
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • PSA: 54.37

(1S,3R)-3-acetyl-2,2-dimethyl-cyclobutanecarboxylic acid Pricemore >>

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