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Home > Encyclopedia > 1,3,3a,4,5,7a-Hexahydro-3-oxo-4-isobenzofurancarboxylic acid

1,3,3a,4,5,7a-Hexahydro-3-oxo-4-isobenzofurancarboxylic acid

1,3,3a,4,5,7a-Hexahydro-3-oxo-4-isobenzofurancarboxylic acid structure

1,3,3a,4,5,7a-Hexahydro-3-oxo-4-isobenzofurancarboxylic acid 

structure
  • CAS No:

    4717-53-7

  • Formula:

    C9H10O4

  • Chemical Name:

    1,3,3a,4,5,7a-Hexahydro-3-oxo-4-isobenzofurancarboxylic acid

  • Synonyms:

    4-Isobenzofurancarboxylic acid,1,3,3a,4,5,7a-hexahydro-3-oxo-;4-Phthalancarboxylic acid,3a,4,5,7a-tetrahydro-3-oxo-;1,3,3a,4,5,7a-Hexahydro-3-oxo-4-isobenzofurancarboxylic acid;4-Cyclohexene-1,2-dicarboxylic acid,3-(hydroxymethyl)-,γ-lactone;NSC 128326;3-Oxo-1,3,3a,4,5,7a-hexahydro-isobenzofuran-4-carboxylic acid;3-Oxo-1,3,3a,4,5,7a-hexahydro-2-benzofuran-4-carboxylic acid;3-Oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylic acid

1,3,3a,4,5,7a-Hexahydro-3-oxo-4-isobenzofurancarboxylic acid Basic Attributes

182.17 g/mol

182.17

128326

DTXSID10299125

Characteristics

63.6 Ų

Computed Properties

Molecular Weight:182.17
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:182.05790880
Monoisotopic Mass:182.05790880
Topological Polar Surface Area:63.6
Heavy Atom Count:13
Complexity:281
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 1,3,3a,4,5,7a-Hexahydro-3-oxo-4-isobenzofurancarboxylic acid

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