Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, hydrate (1:1), (2S,3S)-
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![Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, hydrate (1:1), (2S,3S)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/18d4676e027741788f8e03da7a948137.png "Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, hydrate (1:1), (2S,3S)-")
Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, hydrate (1:1), (2S,3S)-
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CAS No:
71607-31-3
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Formula:
C20H18O8.H2O
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Chemical Name:
Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, hydrate (1:1), (2S,3S)-
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Synonyms:
Butanedioic acid,2,3-bis[(4-methylbenzoyl)oxy]-,hydrate (1:1),(2S,3S)-;Butanedioic acid,2,3-bis[(4-methylbenzoyl)oxy]-,monohydrate,[S-(R*,R*)]-;Butanedioic acid,2,3-bis[(4-methylbenzoyl)oxy]-,monohydrate,(2S,3S)-;672310-01-9
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CAS No:
Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, hydrate (1:1), (2S,3S)- Basic Attributes
404.367
404.110718
615-311-2
29181990
Characteristics
136.43000
2.15930
White or off-white crystalline powder
170 °C
686ºC at 760 mmHg
368.7ºC
Safety Information
NONH for all modes of transport
3
24/25
|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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:404.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:404.11073221
Monoisotopic Mass:404.11073221
Topological Polar Surface Area:128
Heavy Atom Count:29
Complexity:533
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, hydrate (1:1), (2S,3S)-
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