Methyl(P-formylphenyl)acetate

C10H10O3CAS 96524-70-8178.19 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
1.21Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
96524-70-8
SMILES
COC(=O)CC1=CC=C(C=C1)C=O
InChIKey
YPJYQGMVBYQTTA-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O3/c1-13-10(12)6-8-2-4-9(7-11)5-3-8/h2-5,7H,6H2,1H3

Weigh it out

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Names and synonyms

1 names
  • Methyl 2-(4-formylphenyl)acetate

Work with Methyl(P-formylphenyl)acetate

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

p-Tolylacetic acid methyl ester23786-13-262 % similar Methyl phenylacetate101-41-761 % similar Methyl (4-hydroxyphenyl)acetate14199-15-660 % similar Methyl 4-methoxybenzeneacetate23786-14-360 % similar Methyl (4-bromophenyl)acetate41841-16-160 % similar Methyl 4-chlorobenzeneacetate52449-43-160 % similar Methyl 2-(4-(bromomethyl)phenyl)acetate7398-42-760 % similar 4-Methoxycarbonylmethyl-benzoic acid methyl ester52787-14-158 % 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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