2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester
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2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester
structure -
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CAS No:
2689-69-2
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Formula:
C6H8O3S
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Chemical Name:
2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester
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Synonyms:
2-Thiophenecarboxylic acid,tetrahydro-3-oxo-,methyl ester;Methyl tetrahydro-3-oxo-2-thiophenecarboxylate;Methyl 3-oxo-2,3,4,5-tetrahydrothiophene-2-carboxylate;Methyl 3-oxotetrahydrothiophene-2-carboxylate;92630-01-8
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CAS No:
2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester Basic Attributes
160.191
160.19
220-257-4
2934999090
Characteristics
68.67000
-0.18
1.3±0.1 g/cm3
38ºC
122-124 °C @ Press: 2.4 Torr
116.7±15.4 °C
1.528
Slightly soluble in water.
0.0243mmHg at 25°C
Safety Information
NONH for all modes of transport
3
R22;R36
S26-S36/37
Xn:Harmful;
P305 + P351 + P338
H302-H319
|Warning|H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester Use and Manufacturing
2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester: INACTIVE
Computed Properties
Molecular Weight:160.19
XLogP3:0.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:160.01941529
Monoisotopic Mass:160.01941529
Topological Polar Surface Area:68.7
Heavy Atom Count:10
Complexity:166
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Thiophenecarboxylic acid, tetrahydro-3-oxo-, methyl ester
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