(S)-(-)-Methylsuccinic acid dimethyl ester
Properties
- Molecular formula
- C7H12O4
- Molar mass
- 160.17 g/mol
- Exact mass
- 160.0736 Da
- logP
- 0.36Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 3
- Stereocentres
- Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
63163-08-6SMILES
C[C@@H](CC(=O)OC)C(=O)OCInChIKey
NFOQJNGQQXICBY-YFKPBYRVSA-NInChI
InChI=1S/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3/t5-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (S)-Dimethyl 2-methylsuccinate
Work with (S)-(-)-Methylsuccinic acid dimethyl ester
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Methylsuccinic anhydride4100-80-561 % similar
(±)-Methyl 2-methylbutanoate868-57-559 % similar
Dimethyl malate38115-87-658 % similar
(S)-(-)-Dimethyl malate617-55-058 % similar
D-(+)-Malic acid dimethyl ester70681-41-358 % similar
Dimethyl 3-methylglutarate19013-37-757 % similar
Methyl isovalerate556-24-157 % similar
Methyl (R)-(+)-3-bromo-2-methylpropionate110556-33-757 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.