Isomethyltetrahydrophthalic anhydride

C₉H₁₀O₃CAS 3425-89-6166.18 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
Melting point: 63–64 °C
logP: 1.04Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H317 May cause an allergic skin reactionSensitization, Skin
H318 Causes serious eye damageSerious eye damage/eye irritation
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaledSensitization, respiratory

Harmonised EU classification (CLP Annex VI, index 607-240-00-0[2]), via PubChem.

Precautionary statements

P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, P501

Identifiers

CAS number

3425-89-6

SMILES

CC1=CCC2C(=O)OC(=O)C2C1

InChIKey

OEMSKMUAMXLNKL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

15 names · show all

1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-
4-Cyclohexene-1,2-dicarboxylic anhydride, 4-methyl-
3a,4,7,7a-Tetrahydro-5-methyl-1,3-isobenzofurandione
4-Methyl-δ4-tetrahydrophthalic anhydride
4-Methyl-1,2,3,6-tetrahydrophthalic anhydride
4-Methyltetrahydrophthalic anhydride
4-Methyl-4-cyclohexene-1,2-dicarboxylic acid anhydride
4-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride
5-Methyltetrahydrophthalic anhydride
1,2,3,6-Tetrahydro-4-methylphthalic anhydride
Lindride 2
NSC 52669
5-Methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
4-Methyl-1,2,3,6-tetrahydrophthalic acid anhydride
Aradur HY 2123

Work with Isomethyltetrahydrophthalic anhydride

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

1,2,3,6-Tetrahydrophthalic anhydride85-43-852 % similar Tetrahydrophthalic anhydride935-79-552 % similar 3a,4,5,7a-Tetrahydro-6-methyl-1,3-isobenzofurandione19438-64-346 % similar 1,2,3,4-Butanetetracarboxylic dianhydride4534-73-042 % similar 3-Oxabicyclo[3.2.0]heptane-2,4-dione4462-96-841 % similar 3-Oxabicyclo(3.1.0)hexane-2,4-dione5617-74-341 % similar cis-1,2-Cyclohexanedicarboxylic anhydride13149-00-339 % similar (-)-trans-1,2-Cyclohexanedicarboxylic anhydride31982-85-139 % 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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