chempirical

Ethyl 4-acetylbenzoate

C11H12O3CAS 38430-55-6192.21 g/mol

Open in Covalent MOL file
OOO
EsterKetone

Properties

Molecular formula
C11H12O3
Molar mass
192.21 g/mol
Exact mass
192.0786 Da
logP
2.07Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
38430-55-6
SMILES
CCOC(=O)C1=CC=C(C=C1)C(=O)C
InChIKey
GLOAPLPTWAXAIG-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O3/c1-3-14-11(13)10-6-4-9(5-7-10)8(2)12/h4-7H,3H2,1-2H3

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Work with Ethyl 4-acetylbenzoate

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

Diethyl terephthalate636-09-978 % similar Diethyl 4,4'-biphenyldicarboxylate47230-38-670 % similar Ethyl 4-methylbenzoate94-08-666 % similar Ethyl benzoate93-89-065 % similar Ethylparaben120-47-864 % similar Ethyl 4-ethoxybenzoate23676-09-764 % similar Ethyl 4-fluorobenzoate451-46-764 % similar Ethyl 4-iodobenzoate51934-41-964 % similar

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

Same formula

Dehydrozingerone1080-12-2 Helional1205-17-0 Ethyl 3-phenylglycidate121-39-1 (3-Methoxyphenyl)methyl 2-propenoate144261-46-1 δ-Oxobenzenepentanoic acid1501-05-9 Methyl 2-phenylacetoacetate16648-44-5 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid16728-01-1 5,6-Dimethoxy-1-indanone2107-69-9

Elsewhere

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