chempirical

Isomethyltetrahydrophthalic anhydride

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

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 cis-1,2-Cyclohexanedicarboxylic anhydride13149-00-339 % similar Rel-(3ar,6as)-tetrahydro-1H-cyclopenta[C]furan-1,3(3ah)-dione35878-28-539 % similar Hexahydrophthalic anhydride85-42-739 % 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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