3-Phenoxypropionic acid
Properties
- Molecular formula
- C9H10O3
- Molar mass
- 166.18 g/mol
- Exact mass
- 166.0630 Da
- Melting point
- 97.5 °C
- Boiling point
- 240 °C
- logP
- 1.54Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation83.3% of notifiers
Aggregated from 6 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
7170-38-9SMILES
O=C(O)CCOc1ccccc1InChIKey
BUSOTUQRURCMCM-UHFFFAOYSA-NInChI
InChI=1S/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Propanoic acid, 3-phenoxy-
- Propionic acid, 3-phenoxy-
- 3-Phenoxypropanoic acid
- β-Phenoxypropionic acid
Work with 3-Phenoxypropionic 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
4-Phenoxybutyric acid6303-58-880 % similar
Phenoxyacetic acid122-59-867 % similar
3-(4-Fluorophenoxy)propanoic acid1579-78-867 % similar
3-(4-Chlorophenoxy)propanoic acid3284-79-567 % similar
3-(4-Hydroxymethylphenoxy)propionic acid101366-61-465 % similar
Phenylpropanoic acid501-52-055 % similar
2-(4-Phenylphenoxy)acetic acid13333-86-354 % similar
4-Phenylbutyric acid1821-12-153 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.