2-Cyano-3-(3-hydroxyphenyl)-2-propenoic acid
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2-Cyano-3-(3-hydroxyphenyl)-2-propenoic acid
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CAS No:
54673-07-3
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Formula:
C10H7NO3
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Chemical Name:
2-Cyano-3-(3-hydroxyphenyl)-2-propenoic acid
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Synonyms:
2-Propenoic acid,2-cyano-3-(3-hydroxyphenyl)-;Cinnamic acid,α-cyano-m-hydroxy-;2-Cyano-3-(3-hydroxyphenyl)-2-propenoic acid;α-Cyano-m-hydroxycinnamic acid;α-Cyano-3-hydroxycinnamic acid;Ethyl α-cyano-3′-hydroxycinnamate;2-Cyano-3-(3-hydroxyphenyl)acrylic acid
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CAS No:
Characteristics
81.32000
1.38378
Green-yellow Crystalline Powder
1.3175 (rough estimate)
229 °C
424.3ºC at 760 mmHg
210.4ºC
Safety Information
3
20/21/22-36/37/38
26-36
Xn
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Cyano-3-(3-hydroxyphenyl)-2-propenoic acid Use and Manufacturing
inhibit mitochondrial pyruvate transport
Computed Properties
Molecular Weight:189.17
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:189.042593085
Monoisotopic Mass:189.042593085
Topological Polar Surface Area:81.3
Heavy Atom Count:14
Complexity:300
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Cyano-3-(3-hydroxyphenyl)-2-propenoic acid
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