1,4-CUBANEDICARBOXYLICACID
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1,4-CUBANEDICARBOXYLICACID
structure -
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CAS No:
32846-66-5
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Formula:
C10H8O4
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Chemical Name:
1,4-CUBANEDICARBOXYLICACID
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Synonyms:
1,4-CUBANEDICARBOXYLIC ACID;Cubane-1,4-dicarboxylic acid;Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylic acid;cubane-1,8-dicarboxylic acid;1,4-Cubanedicarboxylic acid >=97%;(1S,2R,3R,8S)-Cubane-1,4-dicarboxylic acid;1,4-Dicarboxycubane
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CAS No:
1,4-CUBANEDICARBOXYLICACID Basic Attributes
192.17
192.04225873 g/mol
679808|124087
DTXSID30298539
2918990090
Characteristics
74.60000
-0.10640
2.401±0.06 g/cm3
224°C
457.4±45.0 °C(Predicted)
244.6ºC
2.042
3.97±0.40
Safety Information
UN 2810 6.1 / PGIII
25
45
T
|Danger|H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:192.17
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:192.04225873
Monoisotopic Mass:192.04225873
Topological Polar Surface Area:74.6
Heavy Atom Count:14
Complexity:356
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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