chempirical

3-Methyltetrahydrophthalic anhydride

C9H10O3CAS 5333-84-6166.18 g/mol

Open in Covalent MOL file
OOO
Acid anhydrideAlkene

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 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

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 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 3-Oxabicyclo[3.2.0]heptane-2,4-dione4462-96-839 % 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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