(S)-(-)-Methylsuccinic acid
Properties
- Molecular formula
- C5H8O4
- Molar mass
- 132.11 g/mol
- Exact mass
- 132.0423 Da
- Melting point
- 117.5 °C
- logP
- 0.18Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 3
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
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
2174-58-5SMILES
C[C@@H](CC(=O)O)C(=O)OInChIKey
WXUAQHNMJWJLTG-VKHMYHEASA-NInChI
InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Work with (S)-(-)-Methylsuccinic acid
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
2-Methylglutaric acid18069-17-564 % similar
3-Methylbutanoic acid503-74-260 % similar
Beta-aminoisobutyric acid10569-72-959 % similar
3-Aminoisobutyric acid144-90-159 % similar
1,2,3,4-Butanetetracarboxylic acid1703-58-858 % similar
Propane-1,2,3-tricarboxylic acid99-14-958 % similar
D-Aspartic acid1783-96-657 % similar
Polyaspartic acid25608-40-657 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds