γ-Oxo-2-thiophenebutanoic acid
Properties
- Molecular formula
- C8H8O3S
- Molar mass
- 184.21 g/mol
- Exact mass
- 184.0194 Da
- Melting point
- 119–120 °C
- logP
- 1.80Crippen estimate
- Polar surface area
- 54.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 44 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
4653-08-1SMILES
O=C(O)CCC(=O)c1cccs1InChIKey
ULJMYWHLMLRYSO-UHFFFAOYSA-NInChI
InChI=1S/C8H8O3S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5H,3-4H2,(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-Thiophenebutanoic acid, γ-oxo-
- 2-Thiophenebutyric acid, γ-oxo-
- 3-(2-Thenoyl)propionic acid
- β-(2-Thenoyl)propionic acid
- 4-Oxo-4-(2-thienyl)butyric acid
- β-(α-Thenoyl)propionic acid
- 3-(2-Thienoyl)propionic acid
- NSC 31635
- NSC 9624
- 4-Oxo-4-(thiophen-2-yl)butyric acid
- 3-(Thiophene-2-carbonyl)propionic acid
- 4-Oxo-4-(thiophen-2-yl)butanoic acid
- 4-Oxo-4-(thien-2-yl)butanoic acid
- 3-(Thien-2-oyl)propanoic acid
- 4-(2-Thienyl)-4-oxobutanoic acid
Work with γ-Oxo-2-thiophenebutanoic acid
Similar compounds
1-(2-Thienyl)-1-butanone5333-83-560 % similar
2-Thiophenebutanoic acid4653-11-657 % similar
3-(2-Thienyl)propanoic acid5928-51-856 % similar
5-(2-Thienyl)valeric acid21010-06-055 % similar
2-Bromo-1-(thiophen-2-yl)ethan-1-one10531-41-654 % similar
1-(2-Thienyl)-1-propanone13679-75-954 % similar
3-Benzoylpropionic acid2051-95-854 % similar
2-Octanoylthiophene30711-41-254 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds