chempirical

Griffonilide

C8H8O4CAS 61371-55-9168.15 g/mol

Open in Covalent MOL file
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AlcoholAlkeneEsterLactone

Properties

Molecular formula
C8H8O4
Molar mass
168.15 g/mol
Exact mass
168.0423 Da
logP
-0.87Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0
Stereocentres
S, S, Rin 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
61371-55-9
SMILES
C1=CC2=CC(=O)O[C@@H]2[C@H]([C@@H]1O)O
InChIKey
VXWUBYBAUIHOHG-DTLFHODZSA-N
InChI
InChI=1S/C8H8O4/c9-5-2-1-4-3-6(10)12-8(4)7(5)11/h1-3,5,7-9,11H/t5-,7+,8+/m1/s1

Weigh it out

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

Work with Griffonilide

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

Similar compounds

5-Hydroxy-4-methyl-2(5H)-furanone40834-42-233 % similar Lithospermoside63492-69-333 % similar (S)-(-)Hydroxymethyl-3(2H)-furanone78508-96-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,4-Dihydroxyphenylacetic acid102-32-9 5-Acetoxymethyl-2-furaldehyde10551-58-3 4-Hydroxymandelic acid1198-84-1 Vanillic acid121-34-6 (4-Hydroxyphenoxy)acetic acid1878-84-8 Methyl 3,4-dihydroxybenzoate2150-43-8 3,5-Dihydroxybenzoic acid methyl ester2150-44-9 Methyl 2,6-dihydroxybenzoate2150-45-0

Elsewhere

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