3-(3-Fluorophenyl)-2-propenoic acid
Properties
- Molecular formula
- C9H7FO2
- Molar mass
- 166.15 g/mol
- Exact mass
- 166.0430 Da
- Melting point
- 166.5 °C
- logP
- 1.92Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed50% of notifiers
- H311 Toxic in contact with skin50% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
458-46-8SMILES
O=C(O)C=Cc1cccc(F)c1InChIKey
RTSIUKMGSDOSTI-UHFFFAOYSA-NInChI
InChI=1S/C9H7FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 2-Propenoic acid, 3-(3-fluorophenyl)-
- Cinnamic acid, m-fluoro-
- 3-Fluorocinnamic acid
- 3-(3-Fluorophenyl)propenoic acid
- NSC 73988
Work with 3-(3-Fluorophenyl)-2-propenoic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
3,5-Difluorocinnamic acid147700-58-174 % similar
3,5-Difluorocinnamic acid84315-23-174 % similar
trans-3,4-Difluorocinnamic acid112897-97-968 % similar
(2E)-3-(3-Chlorophenyl)-2-propenoic acid14473-90-668 % similar
trans-3-Hydroxycinnamic acid14755-02-368 % similar
3-(3-Chlorophenyl)-2-propenoic acid1866-38-268 % similar
m-Coumaric acid588-30-768 % similar
3-Methylcinnamic acid14473-89-366 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds