Cas no 51838-83-6 (Methyl 3-(1-hydroxyethyl)-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylate)

Methyl 3-(1-hydroxyethyl)-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylate structure
51838-83-6 structure
Product Name:Methyl 3-(1-hydroxyethyl)-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylate
CAS No:51838-83-6
MF:C15H16O7
MW:308.283345222473
CID:837761
PubChem ID:317838
Update Time:2025-04-19

Methyl 3-(1-hydroxyethyl)-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-(1-hydroxyethyl)-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylate
    • ALLAMANDICIN
    • Methyl 3-(1-hydroxyethyl)-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]ind...
    • AC1L7WU3
    • Methyl 3-(1-hydroxyethyl)-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta(a,hi)indene-7-carboxylate
    • NCI60_002014
    • NSC251691
    • NSC-251691
    • 3,3a,7a,9b-Tetrahydro-3-(1-hydroxyethyl)-2-oxo-2H,4aH-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylic acid methyl ester
    • NSC 251691
    • NS00067902
    • methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate
    • 51838-83-6
    • AKOS032948890
    • DTXSID50966167
    • methyl 1-hydroxyethyl(oxo)[?]carboxylate
    • CHEMBL1996534
    • Methyl (1R,4R,8S,10S,11S,14S)-11-[(1S)-1-hydroxyethyl]-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0,.0,]tetradeca-2,5-diene-5-carboxylic acid
    • Methyl (1R,4R,8S,10S,11S,14S)-11-((1S)-1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo(6.5.1.0,.0,)tetradeca-2,5-diene-5-carboxylic acid
    • DA-60927
    • METHYL 11-(1-HYDROXYETHYL)-12-OXO-7,9,13-TRIOXATETRACYCLO[6.5.1.0(1),(1)?.0?,(1)?]TETRADECA-2,5-DIENE-5-CARBOXYLATE
    • methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo(6.5.1.01,10.04,14)tetradeca-2,5-diene-5-carboxylate
    • Inchi: 1S/C15H16O7/c1-6(16)9-11-15(22-13(9)18)4-3-7-8(12(17)19-2)5-20-14(21-11)10(7)15/h3-7,9-11,14,16H,1-2H3
    • InChI Key: RMYLCIMGXGYTTK-UHFFFAOYSA-N
    • SMILES: O1C2C3C(C(C(=O)OC)=CO2)C=CC23C1C(C(C)O)C(=O)O2

Computed Properties

  • Exact Mass: 308.09000
  • Monoisotopic Mass: 308.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 3
  • Complexity: 609
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 7
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 91.3A^2
  • XLogP3: 0.5

Experimental Properties

  • Color/Form: Powder
  • Density: 1.48
  • Boiling Point: 538.8°C at 760 mmHg
  • Flash Point: 205.5°C
  • Refractive Index: 1.605
  • PSA: 91.29000
  • LogP: -0.10680
  • Vapor Pressure: 0.0±1.9 mmHg at 25°C

Methyl 3-(1-hydroxyethyl)-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylate Security Information

Methyl 3-(1-hydroxyethyl)-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylate Pricemore >>

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