Iodoalphionic acid
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Iodoalphionic acid
structure -
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CAS No:
577-91-3
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Formula:
C15H12I2O3
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Chemical Name:
Iodoalphionic acid
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Synonyms:
Benzenepropanoic acid,4-hydroxy-3,5-diiodo-α-phenyl-;Propionic acid,3-(4-hydroxy-3,5-diiodophenyl)-2-phenyl-;4-Hydroxy-3,5-diiodo-α-phenylbenzenepropanoic acid;Biliselectan;Biselectan;3,5-Diiodo-α-phenylphloretic acid;Dikol;3-(4-Hydroxy-3,5-diiodophenyl)-2-phenylpropionic acid;β-(4-Hydroxy-3,5-diiodophenyl)-α-phenylpropionic acid;Iodoalphionic acid;Iodobil;Jodobil;Pheniodol;Priodax;Tenamid;Tenicid;Biliognost;Bilitrast;Coletrast;Biliselktan;dl-Iodoalphionic acid;NSC 11854;NSC 404169;3-(4-Hydroxy-3,5-diiodophenyl)-2-phenylpropanoic acid;6011-48-9
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CAS No:
Characteristics
57.5
4.01230
2.081g/cm3
164 °C
439ºC at 760 mmHg
219.3ºC
1.724
LD50 orl-rat: 1100 mg/kg KLWOAZ 20,125,41
Safety Information
P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:494.06
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:493.88759
Monoisotopic Mass:493.88759
Topological Polar Surface Area:57.5
Heavy Atom Count:20
Complexity:319
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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