Cas no 28871-63-8 (7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, (1R,2R,3S,4S)-rel-)

7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, (1R,2R,3S,4S)-rel- structure
28871-63-8 structure
Product Name:7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, (1R,2R,3S,4S)-rel-
CAS No:28871-63-8
MF:C8H10O5
MW:186.162003040314
CID:278427
PubChem ID:168842
Update Time:2025-04-19

7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, (1R,2R,3S,4S)-rel- Chemical and Physical Properties

Names and Identifiers

    • 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, (1R,2R,3S,4S)-rel-
    • endo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
    • Aquothol
    • Endothalic acid
    • (endo,endo)-endothal
    • Endothal [ISO]
    • SCHEMBL3494764
    • 1,2-Cyclohexanedicarboxylic acid, 3,6-endo-epoxy-
    • (endo,endo)-7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid
    • Endothallic acid
    • 3,6-Epoxycyclohexane-1,2-dicarboxylic acid
    • NS00101072
    • 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (endo,endo)-
    • 3,6-Endooxyphthalic acid, hexahydro-
    • MFCD00047137
    • (1r,2s,3r,4s)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
    • 3,6-Endoxohexahydrophthalic acid
    • Des-i-cate
    • 28871-63-8
    • NSC 112771
    • Herbicide 273
    • Endothall Weed Killer
    • EPA Pesticide Chemical Code 038901
    • CHEMBL428650
    • 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, exo,exo-
    • Endothal [ANSI:ISO]
    • ENL
    • Herbon pennout
    • NSC-112771
    • Endothall [MI]
    • HSDB 391
    • Endothall Turf Herbicide
    • Q27252004
    • Aquathol
    • EINECS 205-660-5
    • Hydrothol
    • GXEKYRXVRROBEV-FBXFSONDSA-N
    • Phthalic acid, hexahydro-3,6-endo-oxy-
    • Aquathol Plus
    • 3,6-Endooxohexahydrophthalic acid
    • 1,2-Benzenedicarboxylic acid, hexahydro-3,6-endo-oxy-
    • Endothall [ANSI]
    • AKOS006281918
    • Hydout
    • Endothal [BSI]
    • Caswell No. 421
    • RCRA waste no. P088
    • DTXSID001165883
    • rel-(1R,2S,3R,4S)-7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
    • UNII-18F7018HG1
    • Aquathol Plus Granular
    • 18F7018HG1
    • 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, (1R,2S,3R,4S)-rel-
    • Endothal, (+/-)-
    • 7-Oxabicyclo(2.2.1)heptane-2,3-exo-cis-dicarboxylic acid
    • Inchi： 1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)/t3-,4+,5-,6+
    • InChI Key： GXEKYRXVRROBEV-FBXFSONDSA-N
    • SMILES： O1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@H]2C(=O)O

Computed Properties

  • Exact Mass: 186.0528
  • Monoisotopic Mass: 186.053
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 235
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.5
  • Topological Polar Surface Area: 83.8?2

Experimental Properties

  • Density: 1.541
  • Boiling Point: 447.8°Cat760mmHg
  • Flash Point: 190.5°C
  • Refractive Index: 1.568
  • PSA: 83.83

7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, (1R,2R,3S,4S)-rel- Related Literature

28871-63-8 (7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, (1R,2R,3S,4S)-rel-) Related Products

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