chempirical

Pmk glycidate

C12H12O5CAS 13605-48-6236.22 g/mol

Open in Covalent MOL file
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AcetalEpoxideEsterEther

Properties

Molecular formula
C12H12O5
Molar mass
236.22 g/mol
Exact mass
236.0685 Da
logP
1.42Crippen estimate
Polar surface area
57.3 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Identifiers

CAS number
13605-48-6
SMILES
CC1(C(O1)C2=CC3=C(C=C2)OCO3)C(=O)OC
InChIKey
NEWFBAYQRLTJTP-UHFFFAOYSA-N
InChI
InChI=1S/C12H12O5/c1-12(11(13)14-2)10(17-12)7-3-4-8-9(5-7)16-6-15-8/h3-5,10H,6H2,1-2H3

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Work with Pmk glycidate

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

3′,4′-Methylenedioxymandelic acid27738-46-142 % similar (±)-Fargesin31008-19-238 % similar Asarinin133-04-038 % similar Asarinin133-05-138 % similar 5-Acetyl-1,3-benzodioxole3162-29-638 % similar Sesamin607-80-738 % similar Methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-B]indole-3-carboxylate171596-41-137 % similar 3,4-Methylenedioxypropiophenone28281-49-436 % similar

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

Same formula

3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid2596-47-6 1-[3,5-Bis(acetyloxy)phenyl]ethanone35086-59-0 6,7,8-Trimethoxycoumarin6035-49-0 (2E)-4-(3,4-Dimethoxyphenyl)-4-oxo-2-butenoic acid80937-23-1

Elsewhere

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