chempirical

Brevifolincarboxylicacid

C13H8O8CAS 18490-95-4292.20 g/mol

Open in Covalent MOL file
OOOHOHOHOOHO
Carboxylic acidKetonePhenol

Properties

Molecular formula
C13H8O8
Molar mass
292.20 g/mol
Exact mass
292.0219 Da
logP
0.66Crippen estimate
Polar surface area
145.3 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
1

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
18490-95-4
SMILES
C1C(C2=C(C1=O)OC(=O)C3=CC(=C(C(=C32)O)O)O)C(=O)O
InChIKey
JFJWMFPFMLRLMI-UHFFFAOYSA-N
InChI
InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)

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Names and synonyms

1 names
  • Brevifolincarboxylic acid

Work with Brevifolincarboxylicacid

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

Ellagic acid476-66-442 % similar Chebulic acid23725-05-534 % similar 3-Oxo-1-indancarboxylic acid29427-69-832 % similar 3,3′-Di-O-methylellagic acid2239-88-531 % similar

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

Elsewhere

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