2,2′-Diethyl 5,5′-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-4H-1-benzopyran-2-carboxylate]
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![2,2′-Diethyl 5,5′-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-4H-1-benzopyran-2-carboxylate] structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/953cd11e23e449bba8aa2dbc2f1c0441.png "2,2′-Diethyl 5,5′-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-4H-1-benzopyran-2-carboxylate]")
2,2′-Diethyl 5,5′-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-4H-1-benzopyran-2-carboxylate]
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CAS No:
16150-45-1
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Formula:
C27H24O11
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Chemical Name:
2,2′-Diethyl 5,5′-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-4H-1-benzopyran-2-carboxylate]
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Synonyms:
4H-1-Benzopyran-2-carboxylic acid,5,5′-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-,2,2′-diethyl ester;4H-1-Benzopyran-2-carboxylic acid,5,5′-[(2-hydroxytrimethylene)dioxy]bis[4-oxo-,diethyl ester;4H-1-Benzopyran-2-carboxylic acid,5,5′-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-,diethyl ester;2,2′-Diethyl 5,5′-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-4H-1-benzopyran-2-carboxylate];Cromoglycic acid diethyl ester;Diethyl cromoglycate;Cromophene
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CAS No:
2,2′-Diethyl 5,5′-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-4H-1-benzopyran-2-carboxylate] Basic Attributes
524.48
524.47
605-256-2
SMU3BJ0QSN
DTXSID20167164
Characteristics
144
1.53
1.408±0.06 g/cm3(Predicted)
180-182 °C @ Solvent: Ethanol, Benzene
715.2±60.0 °C(Predicted)
239.0±26.4 °C
1.604
Safety Information
NONH for all modes of transport
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 7 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:524.5
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:12
Exact Mass:524.13186158
Monoisotopic Mass:524.13186158
Topological Polar Surface Area:144
Heavy Atom Count:38
Complexity:894
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,2′-Diethyl 5,5′-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-4H-1-benzopyran-2-carboxylate]
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