3,3,3-Triphenylpropionic acid

C₂₁H₁₈O₂CAS 900-91-4302.37 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₂₁H₁₈O₂
Molar mass: 302.37 g/mol
Exact mass: 302.1307 Da
logP: 4.50Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 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

900-91-4

SMILES

C1=CC=C(C=C1)C(CC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3

InChIKey

XMSJLUKCGWQAHO-UHFFFAOYSA-N

InChI

InChI=1S/C21H18O2/c22-20(23)16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,22,23)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3,3,3-Triphenylpropionic acid

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

4-Chloro-β,β-bis(4-chlorophenyl)benzenepropanoic acid2168-06-165 % similar Trt-gly-oh5893-05-055 % similar S-Trityl-3-mercaptopropionic acid27144-18-951 % similar Phenylacetic acid103-82-250 % similar Benzenepentanoic acid2270-20-450 % similar 9-Phenylnonanoic acid16269-06-048 % similar 8-Phenyloctanoic acid26547-51-348 % similar 7-Phenyl heptanoic acid40228-90-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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