Phenylpropiolic acid
Properties
- Molecular formula
- C9H6O2
- Molar mass
- 146.14 g/mol
- Exact mass
- 146.0368 Da
- Melting point
- 138 °C
- logP
- 1.12Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation98% of notifiers
Aggregated from 50 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
637-44-5SMILES
O=C(O)C#Cc1ccccc1InChIKey
XNERWVPQCYSMLC-UHFFFAOYSA-NInChI
InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
15 names · show all
- 2-Propynoic acid, 3-phenyl-
- Propiolic acid, phenyl-
- 3-Phenyl-2-propynoic acid
- 3-Phenylpropiolic acid
- Phenylacetylenemonocarboxylic acid
- 3-Phenylpropynoic acid
- Phenylpropynoic acid
- Phenylacetylenecarboxylic acid
- β-Phenylpropargylic acid
- 3-Phenylpropargylic acid
- NSC 13669
- Phenyl-2-propynoic acid
- Phenylpropargylic acid
- Benzenepropynoic acid
- 4-Phenylpropynoic acid
Reactions
Work with Phenylpropiolic acid
Similar compounds
4-Phenyl-3-butyn-2-one1817-57-853 % similar
Phenylpropynoic acid methyl ester4891-38-748 % similar
Acetylenedicarboxylic acid142-45-046 % similar
Diphenylacetylene501-65-546 % similar
Ethyl phenylpropiolate2216-94-644 % similar
1,4-Bis(2-phenylethynyl)benzene1849-27-044 % similar
Diphenylbutadiyne886-66-842 % similar
1-[4-(2-Phenylethynyl)phenyl]ethanone1942-31-041 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds