Isocitric acid lactone
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Isocitric acid lactone
structure -
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CAS No:
4702-32-3
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Formula:
C6H6O6
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Chemical Name:
Isocitric acid lactone
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Synonyms:
Pentaric acid,3-carboxy-2,3-dideoxy-,1,4-lactone;Isocitric acid,γ-lactone;2,3-Furandicarboxylic acid,tetrahydro-5-oxo-;Isocitric acid lactone;1,2,3-Propanetricarboxylic acid,1-hydroxy-,γ-lactone;Isocitric lactone;NSC 95086
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CAS No:
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36
Xi: Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:174.11
XLogP3:-1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:174.01643791
Monoisotopic Mass:174.01643791
Topological Polar Surface Area:101
Heavy Atom Count:12
Complexity:244
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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