Phenylglyoxal

C₈H₈O₃CAS 1075-06-5152.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈O₃
Molar mass: 152.15 g/mol
Exact mass: 152.0473 Da
Melting point: 83 °C
logP: 0.18Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

1075-06-5

SMILES

O=C(c1ccccc1)C(O)O

InChIKey

NBIBDIKAOBCFJN-UHFFFAOYSA-N

InChI

InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,8,10-11H

Weigh it out

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

Names and synonyms

10 names

Ethanone, 2,2-dihydroxy-1-phenyl-
Acetophenone, 2,2-dihydroxy-
2,2-Dihydroxy-1-phenylethanone
Phenylglyoxal hydrate
Phenylglyoxal monohydrate
Benzeneacetaldehyde, α-oxo-, aldehydo-hydrate
α,α-Dihydroxyacetophenone
NSC 249825
2-Oxo-2-phenylacetaldehyde monohydrate
2,2-Dihydroxy-1-phenylethan-1-one

Work with Phenylglyoxal

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

P-Anisic acid100-09-4 Acetylresorcinol102-29-4 Methyl salicylate119-36-8 3′,4′-Dihydroxyacetophenone1197-09-7 Vanillin121-33-5 Phenoxyacetic acid122-59-8 Ortho-vanillin148-53-8 4-Hydroxyphenylacetic acid156-38-7

Elsewhere

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