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1,4-CUBANEDICARBOXYLICACID

1,4-CUBANEDICARBOXYLICACID structure

CAS No:
32846-66-5
Formula:
C10H8O4
Chemical Name:
1,4-CUBANEDICARBOXYLICACID
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
Categories:
Specialty Chemicals

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1,4-CUBANEDICARBOXYLICACID Basic Attributes

Molecular Weight：

192.17

Exact Mass：

192.04225873 g/mol

NSC Number：

679808|124087

DSSTox ID：

DTXSID30298539

HScode：

2918990090

Characteristics

PSA：

74.60000

XLogP3：

-0.10640

Density：

2.401±0.06 g/cm3

Melting Point：

224°C

Boiling Point：

457.4±45.0 °C(Predicted)

Flash Point：

244.6ºC

Refractive Index：

2.042

PKA：

3.97±0.40

Safety Information

Transport codes：

UN 2810 6.1 / PGIII

hazard class code：

safety instructions：

Marks：

GHS Classification：

|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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1,4-CUBANEDICARBOXYLIC ACID

CAS No.: 32846-66-5

Content: 99.00%

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CAS No.: 32846-66-5

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Guide of 1,4-CUBANEDICARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties
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