3-Butene-1,2,3-tricarboxylic acid
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3-Butene-1,2,3-tricarboxylic acid
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CAS No:
26326-05-6
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Formula:
C7H8O6
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Chemical Name:
3-Butene-1,2,3-tricarboxylic acid
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Synonyms:
3-Butene-1,2,3-tricarboxylic acid;1-Butene-2,3,4-tricarboxylic acid;Butene-2,3,4-tricarboxylic acid;1-Methylidenepropane-1,2,3-tricarboxylic acid
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CAS No:
Characteristics
112
-0.6
1.526 g/cm3
177 °C
101 °C @ Press: 3 x 10-3 Torr
231.8ºC
7.8E-09mmHg at 25°C
Safety Information
36/37/38
26-36/37/39
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|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:188.13
XLogP3:-0.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:188.03208797
Monoisotopic Mass:188.03208797
Topological Polar Surface Area:112
Heavy Atom Count:13
Complexity:266
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Butene-1,2,3-tricarboxylic acid
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