3A,4,5,7A-Tetrahydro-6-methyl-1,3-isobenzofurandione

C₉H₁₀O₃CAS 19438-64-3166.18 g/mol

Open in Covalent MOL file

Acid anhydride Alkene

Properties

Molecular formula: C₉H₁₀O₃
Molar mass: 166.18 g/mol
Exact mass: 166.0630 Da
logP: 1.04Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

19438-64-3

SMILES

CC1=CC2C(=O)OC(=O)C2CC1

InChIKey

MWSKJDNQKGCKPA-UHFFFAOYSA-N

InChI

InChI=1S/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h4,6-7H,2-3H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

1,3-Isobenzofurandione, 3a,4,5,7a-tetrahydro-6-methyl-
3-Cyclohexene-1,2-dicarboxylic anhydride, 4-methyl-
4-Methyl-δ3-tetrahydrophthalic anhydride

Work with 3A,4,5,7A-Tetrahydro-6-methyl-1,3-isobenzofurandione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isomethyltetrahydrophthalic anhydride3425-89-646 % similar 3-Oxabicyclo[3.2.0]heptane-2,4-dione4462-96-843 % similar cis-1,2-Cyclohexanedicarboxylic anhydride13149-00-341 % similar Rel-(3ar,6as)-tetrahydro-1H-cyclopenta[C]furan-1,3(3ah)-dione35878-28-541 % similar Hexahydrophthalic anhydride85-42-741 % similar 1,2,3,6-Tetrahydrophthalic anhydride85-43-839 % similar Tetrahydrophthalic anhydride935-79-539 % similar Norcantharidin29745-04-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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