chempirical

rac-Gr24

C17H14O5CAS 76974-79-3298.29 g/mol

Open in Covalent MOL file
OOOOO
AcetalAlkeneEsterEtherLactone

Properties

Molecular formula
C17H14O5
Molar mass
298.29 g/mol
Exact mass
298.0841 Da
logP
2.19Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2
Stereocentres
R, R, Sin SMILES atom order
Double bonds
EE/Z, in SMILES 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
76974-79-3
SMILES
CC1=C[C@@H](OC1=O)O/C=C/2\[C@H]3CC4=CC=CC=C4[C@H]3OC2=O
InChIKey
XHSDUVBUZOUAOQ-WJQMYRPNSA-N
InChI
InChI=1S/C17H14O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,8,12,14-15H,7H2,1H3/b13-8+/t12-,14-,15-/m1/s1

Weigh it out

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

Work with rac-Gr24

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

5-Hydroxy-4',7-dimethoxyisoflavone34086-51-6 Mosloflavone740-33-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook