γ-Oxo-2-thiophenebutanoic acid
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γ-Oxo-2-thiophenebutanoic acid
structure -
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CAS No:
4653-08-1
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Formula:
C8H8O3S
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Chemical Name:
γ-Oxo-2-thiophenebutanoic acid
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Synonyms:
2-Thiophenebutanoic acid,γ-oxo-;2-Thiophenebutyric acid,γ-oxo-;γ-Oxo-2-thiophenebutanoic acid;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
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CAS No:
Description
Beige crystalline powder
4-oxo-4-(2-thienyl)butyric acid is a 4-oxo monocarboxylic acid that is butyric acid bearing oxo and 2-thienyl groups at position 4. It has a role as a hapten. It is a member of thiophenes and a 4-oxo monocarboxylic acid. It derives from a butyric acid.
γ-Oxo-2-thiophenebutanoic acid Basic Attributes
184.21200
184.21
225-089-5
31635|9624
DTXSID10196867
2934999090
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 199 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:184.21
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:184.01941529
Monoisotopic Mass:184.01941529
Topological Polar Surface Area:82.6
Heavy Atom Count:12
Complexity:191
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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