chempirical

Meranzin

C15H16O4CAS 23971-42-8260.29 g/mol

Open in Covalent MOL file
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EpoxideEther

Properties

Molecular formula
C15H16O4
Molar mass
260.29 g/mol
Exact mass
260.1049 Da
logP
2.52Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3
Stereocentres
Sin 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
23971-42-8
SMILES
CC1([C@@H](O1)CC2=C(C=CC3=C2OC(=O)C=C3)OC)C
InChIKey
LSZONYLDFHGRDP-LBPRGKRZSA-N
InChI
InChI=1S/C15H16O4/c1-15(2)12(19-15)8-10-11(17-3)6-4-9-5-7-13(16)18-14(9)10/h4-7,12H,8H2,1-3H3/t12-/m0/s1

Weigh it out

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

Work with Meranzin

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

8-((2S)-2,3-Dihydroxy-3-methylbutyl)-7-methoxychromen-2-one5875-49-063 % similar (+)-Columbianetin3804-70-459 % similar Columbianetin acetate23180-65-658 % similar Osthol484-12-857 % similar Columbianadin5058-13-952 % similar Murrayone19668-69-050 % similar Byakangelicol26091-79-247 % similar (+)-Heraclenin2880-49-147 % similar

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

Same formula

Linderane13476-25-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook