rel-(3aR,7aS)-3a,4,7,7a-Tetrahydro-5-methyl-1,3-isobenzofurandione

CAS Registry Number®

1694-82-2

CAS Name

rel-(3aR,7aS)-3a,4,7,7a-Tetrahydro-5-methyl-1,3-isobenzofurandione

Molecular Formula

C9H10O3

Molecular Mass

166.17

Cite this Page

rel-(3aR,7aS)-3a,4,7,7a-Tetrahydro-5-methyl-1,3-isobenzofurandione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1694-82-2 (retrieved 2024-12-23) (CAS RN: 1694-82-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    64-65 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2,6-7H,3-4H2,1H3/t6-,7+/s2

InChIKey

InChIKey=OEMSKMUAMXLNKL-JHPDDGAFNA-N

SMILES

O=C1[C@@]2([C@](C(=O)O1)(CC=C(C)C2)[H])[H]

Canonical SMILES

O=C1OC(=O)C2CC(=CCC12)C

Other Names for this Substance

  • 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-, (3aR,7aS)-rel-
  • 4-Cyclohexene-1,2-dicarboxylic anhydride, 4-methyl-, cis-
  • 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-, cis-
  • rel-(3aR,7aS)-3a,4,7,7a-Tetrahydro-5-methyl-1,3-isobenzofurandione
  • cis-4-Methyl-1,2,3,6-tetrahydrophthalic anhydride

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Deleted or Replaced CAS Registry Numbers

135184-96-2

CAS INSIGHTSTM
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