3-Methyltetrahydrophthalic anhydride

C₉H₁₀O₃CAS 5333-84-6166.18 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: 61 °C
logP: 0.90Crippen 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[3]), 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

5333-84-6

SMILES

CC1C=CCC2C(=O)OC(=O)C12

InChIKey

XPEKVUUBSDFMDR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

11 names

I-MTHFA
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl-
NSC 2352
ECH 202
4-Cyclohexene-1,2-dicarboxylic anhydride, 3-methyl-
3a,4,7,7a-Tetrahydro-4-methyl-1,3-isobenzofurandione
3-Methyl-1,2,3,6-tetrahydrophthalic anhydride
3-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride
3-Methyl-δ4-tetrahydrophthalic anhydride
3-Methyl-4-cyclohexene-1,2-dicarboxylic acid anhydride
1,2,3,6-Tetrahydro-3-methylphthalic anhydride

Work with 3-Methyltetrahydrophthalic 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 anhydride85-43-853 % similar Tetrahydrophthalic anhydride935-79-553 % similar Tetrahydro-1H-cyclopenta[1,2-c:3,4-c′]difuran-1,3,4,6(3aH)-tetrone6053-68-544 % similar Carbic anhydride129-64-641 % similar Himic anhydride2746-19-241 % similar Bicyclo(2.2.2)oct-5-ene-2,3-dicarboxylic Anhydride6708-37-841 % similar Nadic anhydride826-62-041 % similar 3a,4,4a,7a,8,8a-Hexahydro-4,8-etheno-1H,3H-benzo[1,2-c:4,5-c′]difuran-1,3,5,7-tetrone1719-83-141 % 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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