Methylsuccinic anhydride

C5H6O3CAS 4100-80-5114.10 g/mol

Open in Covalent MOL file
OOO
Acid anhydride

Properties

Molecular formula
C5H6O3
Molar mass
114.10 g/mol
Exact mass
114.0317 Da
Melting point
34 °C
Boiling point
239 °C
logP
0.10Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4100-80-5
SMILES
CC1CC(=O)OC1=O
InChIKey
DFATXMYLKPCSCX-UHFFFAOYSA-N
InChI
InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h3H,2H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • 2,5-Furandione, dihydro-3-methyl-
  • Pyrotartaric anhydride
  • Succinic anhydride, methyl-
  • Dihydro-3-methyl-2,5-furandione
  • 2-Methylsuccinic anhydride
  • α-Methylsuccinic anhydride
  • 2-Methylbutanedioic anhydride
  • NSC 65437
  • Methyldihydrofuran-2,5-dione
  • 3-Methyldihydrofuran-2,5-dione
  • 3-Methyloxolane-2,5-dione

Work with Methylsuccinic 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl (R)-(+)-methylsuccinate22644-27-561 % similar (S)-(-)-Methylsuccinic acid dimethyl ester63163-08-661 % similar 1,2,3,4-Butanetetracarboxylic dianhydride4534-73-056 % similar Isovaleric anhydride1468-39-950 % similar Dihydro-4-methyl-2H-pyran-2,6(3H)-dione4166-53-450 % similar (3S)-2,5-Dioxooxolan-3-yl acetate59025-03-547 % similar (3R)-3-(Acetyloxy)dihydro-2,5-furandione79814-40-747 % similar S-Acetylmercaptosuccinic anhydride6953-60-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Glutaric anhydride108-55-4 4-Hydroxy-5-methyl-3(2H)-furanone19322-27-1 3-Oxocyclobutanecarboxylic acid23761-23-1 Methyl 4-hydroxybut-2-ynoate31555-05-2 4,5-Dimethyl-1,3-dioxol-2-one37830-90-3 5-Hydroxy-4-methyl-2(5H)-furanone40834-42-2 Vinylethylene carbonate4427-96-7 Pyran-3,5-dione61363-56-2

Elsewhere

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