Cas no 3030-30-6 (2,3-Dihydroxypropyl Heptanoate)

2,3-Dihydroxypropyl Heptanoate structure
3030-30-6 structure
Product Name:2,3-Dihydroxypropyl Heptanoate
CAS No:3030-30-6
MF:C10H20O4
MW:204.263403892517
CID:1442306
PubChem ID:21924355
Update Time:2025-04-20

2,3-Dihydroxypropyl Heptanoate Chemical and Physical Properties

Names and Identifiers

    • Heptanoic acid, 2,3-dihydroxypropyl ester
    • 2,3-dihydroxypropyl heptanoate
    • MG 7:0
    • glyceryl-1-heptanoate
    • 3030-30-6
    • Heptanoic acid, monoester with 1,2,3-propanetriol
    • EMQ9DX6SKR
    • Monoheptanoin
    • SCHEMBL2119138
    • MAG 7:0
    • GLYCERYL HEPTANOATE
    • 26402-24-4
    • Glyceryl 1-heptanoate
    • Heptanoic acid 2,3-dihydroxypropyl ester
    • 1-Monoheptanoin
    • Glycerol 1-heptanoate
    • DTXSID90949297
    • 2,3-Dihydroxypropyl Heptanoate
    • Inchi: 1S/C10H20O4/c1-2-3-4-5-6-10(13)14-8-9(12)7-11/h9,11-12H,2-8H2,1H3
    • InChI Key: BVIQZSQUDHUPDC-UHFFFAOYSA-N
    • SMILES: O(CC(CO)O)C(CCCCCC)=O

Computed Properties

  • Exact Mass: 204.1362
  • Monoisotopic Mass: 204.136
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 9
  • Complexity: 147
  • 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: 1.5
  • Topological Polar Surface Area: 66.8A^2

Experimental Properties

  • PSA: 66.76

2,3-Dihydroxypropyl Heptanoate Pricemore >>

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