chempirical

Ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate

C11H12O4CAS 4739-94-0208.21 g/mol

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EsterEther

Properties

Molecular formula
C11H12O4
Molar mass
208.21 g/mol
Exact mass
208.0736 Da
logP
1.39Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

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
4739-94-0
SMILES
CCOC(=O)C1COC2=CC=CC=C2O1
InChIKey
DDIGEMWIKJMEIU-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O4/c1-2-13-11(12)10-7-14-8-5-3-4-6-9(8)15-10/h3-6,10H,2,7H2,1H3

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Names and synonyms

1 names
  • Ethyl 1,4-benzodioxan-2-carboxylate

Work with Ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate

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

1,4-Benzodioxane-2-carboxylic acid34385-93-855 % similar 1,4-Benzodioxane-2-carboxylic acid3663-80-755 % similar (R)-1,4-Benzodioxane-2-carboxylic acid70918-53-555 % similar Ethyl glycidate4660-80-450 % similar Diethyl phenylmalonate83-13-650 % similar Ethyl phthalimidomalonate5680-61-548 % similar Diethyl 2-benzoylmalonate1087-97-448 % similar Ethyl α-chlorobenzeneacetate4773-33-548 % similar

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

Same formula

Ethyl caffeate102-37-4 3-(2,5-Dimethoxyphenyl)-2-propenoic acid10538-51-9 Methyl (2R,3S)-3-(4-methoxyphenyl)-2-oxiranecarboxylate105560-93-8 3,4-Dimethoxycinnamic acid14737-89-4 2',5'-Dimethoxycinnamic acid161282-95-7 6,7-Dimethoxy-1,4-dihydro-3H-isochromen-3-one16135-41-4 (2E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid16909-09-4 3-(3,5-Dimethoxyphenyl)-2-propenoic acid16909-11-8

Elsewhere

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