(-)-O-Acetylmandelic acid

C₁₀H₁₀O₄CAS 51019-43-3194.19 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Ester

Properties

Molecular formula: C₁₀H₁₀O₄
Molar mass: 194.19 g/mol
Exact mass: 194.0579 Da
Melting point: 97 °C
logP: 1.38Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

51019-43-3

SMILES

CC(=O)O[C@@H](C(=O)O)c1ccccc1

InChIKey

OBCUSTCTKLTMBX-SECBINFHSA-N

InChI

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-/m1/s1

Weigh it out

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

Names and synonyms

16 names · show all

Benzeneacetic acid, α-(acetyloxy)-, (αR)-
Benzeneacetic acid, α-(acetyloxy)-, (R)-
(αR)-α-(Acetyloxy)benzeneacetic acid
O-Acetyl-D-mandelic acid
(R)-O-Acetylmandelic acid
(R)-Mandelic acid O-acetate
(R)-(-)-O-Acetylmandelic acid
D-(-)-Acetylmandelic acid
O-Acetyl-(R)-mandelic acid
(R)-Acetylmandelic acid
(R)-2-Acetoxy-2-phenylacetic acid
D-O-Acetylmandelic acid
(2R)-2-Acetoxy-2-phenylacetic acid
(2R)-2-Acetyloxy-2-phenylacetic acid
(R)-(-)-α-Acetoxyphenylacetic acid
(2R)-2-(Acetyloxy)-2-phenylacetic acid

Work with (-)-O-Acetylmandelic acid

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

Same formula

1,3-Dihydroxybenzene diacetate108-58-7 Ferulic acid1135-24-6 1,4-Diacetoxybenzene1205-91-0 Dimethyl terephthalate120-61-6 Dimethyl phthalate131-11-3 Dimethyl isophthalate1459-93-4 Methyl 5-acetylsalicylate16475-90-4 Kakuol18607-90-4

Elsewhere

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