chempirical

Methyl 4-formyl-2-methylbenzoate

C10H10O3CAS 74733-23-6178.19 g/mol

Open in Covalent MOL file
OOO
AldehydeEster

Properties

Molecular formula
C10H10O3
Molar mass
178.19 g/mol
Exact mass
178.0630 Da
logP
1.59Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
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
74733-23-6
SMILES
CC1=C(C=CC(=C1)C=O)C(=O)OC
InChIKey
LHJKZERUIPGPCK-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O3/c1-7-5-8(6-11)3-4-9(7)10(12)13-2/h3-6H,1-2H3

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Work with Methyl 4-formyl-2-methylbenzoate

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

Methyl 4-((hydroxyimino)methyl)-2-methylbenzoate1261169-50-966 % similar Methyl 5-formylsalicylate41489-76-363 % similar Methyl 5-formyl-2-methoxybenzoate78515-16-963 % similar Methyl 4-methoxy-2-methylbenzoate35598-05-159 % similar Methyl 4-hydroxy-2-methylbenzoate57556-31-759 % similar Methyl 4-formylbenzoate1571-08-057 % similar Methyl 3-formylbenzoate52178-50-455 % similar Methyl 4-cyano-2-methylbenzoate103261-67-255 % similar

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

Same formula

trans-2-Methoxycinnamic acid1011-54-7 1-[4-(Acetyloxy)phenyl]ethanone13031-43-1 Ethyl benzoylformate1603-79-8 3-Methoxycinnamic acid17570-26-2 5-(2-Furyl)cyclohexane-1,3-dione1774-11-4 Methyl 4-hydroxycinnamate19367-38-5 3-Benzoylpropionic acid2051-95-8 2-(Acetyloxy)-1-phenylethanone2243-35-8

Elsewhere

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