Cas no 54340-91-9 (methyl 2-hydroxyheptanoate)

methyl 2-hydroxyheptanoate structure
methyl 2-hydroxyheptanoate structure
Product Name:methyl 2-hydroxyheptanoate
CAS No:54340-91-9
MF:C8H16O3
MW:160.210843086243
MDL:MFCD16693801
CID:1588628
PubChem ID:560780
Update Time:2025-04-21

methyl 2-hydroxyheptanoate Chemical and Physical Properties

Names and Identifiers

    • Heptanoic acid, 2-hydroxy-, methyl ester
    • 2-Hydroxyheptanoic acid methyl ester
    • methyl 2-hydroxyheptanoate
    • EN300-245922
    • CS-0242196
    • DB-303387
    • Z965047444
    • 54340-91-9
    • methyl2-hydroxyheptanoate
    • AKOS011494374
    • SCHEMBL1566085
    • ZKBFAXBOTWDLBL-UHFFFAOYSA-N
    • MDL: MFCD16693801
    • Inchi: 1S/C8H16O3/c1-3-4-5-6-7(9)8(10)11-2/h7,9H,3-6H2,1-2H3
    • InChI Key: ZKBFAXBOTWDLBL-UHFFFAOYSA-N
    • SMILES: OC(C(=O)OC)CCCCC

Computed Properties

  • Exact Mass: 160.10998
  • Monoisotopic Mass: 160.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 6
  • Complexity: 112
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53

methyl 2-hydroxyheptanoate Pricemore >>

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