(+)-O-Acetyl-L-mandelic Acid
Properties
- Molecular formula
- C10H10O4
- Molar mass
- 194.19 g/mol
- Exact mass
- 194.0579 Da
- logP
- 1.38Crippen estimate
- Polar surface area
- 63.6 Ų
- H-bond donors / acceptors
- 1 / 3
- 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. Search the SDS library
Identifiers
CAS number
7322-88-5SMILES
CC(=O)O[C@@H](C1=CC=CC=C1)C(=O)OInChIKey
OBCUSTCTKLTMBX-VIFPVBQESA-NInChI
InChI=1S/C10H10O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)/t9-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (S)-(+)-O-Acetyl-L-mandelic acid
Work with (+)-O-Acetyl-L-mandelic 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
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Phenylmethanediol diacetate581-55-559 % similar
1-Phenylethyl acetate93-92-556 % similar
Rel-(3R,4S)-3-(Acetyloxy)-4-phenyl-2-azetidinone133066-59-852 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds