2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:2)
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![2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:2) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c1e547f0a56a4fcd8d95d3181b27b356.png "2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:2)")
2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:2)
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CAS No:
67859-77-2
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Formula:
C21H36O4.2C6H15NO3
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Chemical Name:
2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:2)
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Synonyms:
2-Cyclohexene-1-octanoic acid,5-carboxy-4-hexyl-,compd. with 2,2′,2′′-nitrilotris[ethanol] (1:2);Ethanol,2,2′,2′′-nitrilotris-,5-carboxy-4-hexyl-2-cyclohexene-1-octanoate (2:1) (salt)
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CAS No:
2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:2) Basic Attributes
650.9 g/mol
650.47174631 g/mol
267-425-3
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:2) Use and Manufacturing
2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:2): ACTIVE
Computed Properties
Molecular Weight:650.9
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:26
Exact Mass:650.47174631
Monoisotopic Mass:650.47174631
Topological Polar Surface Area:203
Heavy Atom Count:45
Complexity:472
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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