(1ALPHA,2ALPHA,4ALPHA)-1,2,4-CYCLOHEXANETRICARBOXYLIC ACID
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(1ALPHA,2ALPHA,4ALPHA)-1,2,4-CYCLOHEXANETRICARBOXYLIC ACID
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CAS No:
76784-95-7
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Formula:
C9H12O6
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Chemical Name:
(1ALPHA,2ALPHA,4ALPHA)-1,2,4-CYCLOHEXANETRICARBOXYLIC ACID
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Synonyms:
(1ALPHA,2ALPHA,4ALPHA)-1,2,4-CYCLOHEXANETRICARBOXYLIC ACID;(1а,2а,4а)-1,2,4-CyclohexanetricarboxylicAcid;1,2,4-Cyclohexane tricarboxylic acid;1,2,4-Cyclohexanetricarboxylic acid, (1a,2a,4a)- (9CI);2&alpha
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CAS No:
(1ALPHA,2ALPHA,4ALPHA)-1,2,4-CYCLOHEXANETRICARBOXYLIC ACID Basic Attributes
216.18798
216.06300
2917209090
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.
Computed Properties
Molecular Weight:216.19
XLogP3:-0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:216.06338810
Monoisotopic Mass:216.06338810
Topological Polar Surface Area:112
Heavy Atom Count:15
Complexity:297
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(1ALPHA,2ALPHA,4ALPHA)-1,2,4-CYCLOHEXANETRICARBOXYLIC ACID
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