3-(3-Pyridinyl)-2-propenoic acid
Properties
- Molecular formula
- C8H7NO2
- Molar mass
- 149.15 g/mol
- Exact mass
- 149.0477 Da
- Melting point
- 233 °C
- logP
- 1.18Crippen estimate
- Polar surface area
- 50.2 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
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
1126-74-5SMILES
O=C(O)C=Cc1cccnc1InChIKey
VUVORVXMOLQFMO-UHFFFAOYSA-NInChI
InChI=1S/C8H7NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-6H,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- 2-Propenoic acid, 3-(3-pyridinyl)-
- 3-Pyridineacrylic acid
- β-(3-Pyridyl)-acrylic acid
- ω-(3-Pyridyl)acrylic acid
- Pyridyl-3-acrylic acid
- 3-(3-Pyridyl)-2-propenoic acid
- 3-(3-Pyridyl)acrylic acid
- 3-(3′-Pyridyl)acrylic acid
- 3-(Pyridin-3-yl)acrylic acid
- 3-(Pyridin-3-yl)-2-propenoic acid
Work with 3-(3-Pyridinyl)-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-(4-Pyridinyl)-2-propenoic acid5337-79-164 % similar
3-(4-Pyridine)acrylic acid84228-93-364 % similar
Cinnamic acid140-10-363 % similar
Cinnamic acid621-82-963 % similar
p-Phenylenediacrylic acid16323-43-658 % similar
(2E)-3-(3-Fluorophenyl)-2-propenoic acid20595-30-654 % similar
3-(3-Fluorophenyl)-2-propenoic acid458-46-854 % similar
(2E)-3-(3-Chlorophenyl)-2-propenoic acid14473-90-653 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds