3-Thiophenemalonic acid
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3-Thiophenemalonic acid
structure -
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CAS No:
21080-92-2
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Formula:
C7H6O4S
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Chemical Name:
3-Thiophenemalonic acid
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Synonyms:
Propanedioic acid,2-(3-thienyl)-;3-Thiophenemalonic acid;Propanedioic acid,3-thienyl-;2-(3-Thienyl)propanedioic acid;3-Thienylmalonic acid;2-(3-Thienyl)malonic acid;2-(Thiophen-3-yl)malonic acid;2-Thiophen-3-ylpropanedioic acid;2-(Thiophen-3-yl)propanedioic acid
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CAS No:
Characteristics
103
1.13
white to light yellow crystal powder
1.6±0.1 g/cm3
139-140 °C (decomp) @ Solvent: Benzene
396.8±32.0 °C at 760 mmHg
193.8±25.1 °C
1.628
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
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 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Thiophenemalonic acid Use and Manufacturing
Used as pharmaceutical intermediate
Propanedioic acid, 2-(3-thienyl)-: INACTIVE
Computed Properties
Molecular Weight:186.19
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:185.99867984
Monoisotopic Mass:185.99867984
Topological Polar Surface Area:103
Heavy Atom Count:12
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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