Cas no 152518-87-1 (Cyclopentanecarboxylicacid, 3-methyl-, methyl ester, (1S-cis)- (9CI))

Cyclopentanecarboxylicacid, 3-methyl-, methyl ester, (1S-cis)- (9CI) structure
152518-87-1 structure
Product Name:Cyclopentanecarboxylicacid, 3-methyl-, methyl ester, (1S-cis)- (9CI)
CAS No:152518-87-1
MF:C8H14O2
MW:142.195562839508
CID:99210
Update Time:2024-01-24

Cyclopentanecarboxylicacid, 3-methyl-, methyl ester, (1S-cis)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Cyclopentanecarboxylicacid, 3-methyl-, methyl ester, (1S-cis)- (9CI)
    • Cyclopentanecarboxylic acid, 3-methyl-, methyl ester, (1S-cis)- (9CI)
    • Inchi: 1S/C8H14O2/c1-6-3-4-7(5-6)8(9)10-2/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1
    • InChI Key: JEKZTDHRSRGRJE-RQJHMYQMSA-N
    • SMILES: [C@H]1(C(OC)=O)CC[C@@H](C)C1

Computed Properties

  • Exact Mass: 142.09942
  • Monoisotopic Mass: 142.099
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 131
  • 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
  • Topological Polar Surface Area: 26.3A^2

Experimental Properties

  • PSA: 26.3

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