CAS 1719-83-1|Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acid dianhydride|4,10-dioxatetracyclo[5.5.2.0^{2,6}.0^{8,12}]tetradec-13-ene-3,5,9,11-tetrone|4,10-dioxatetracyclo[5.5.2.0^{2,6}.0^{8,12...

General Information

Structure

Molecular Formula

C₁₂H₈O₆

Molecular Mass

248.18832

Exact Mass

248.03208798

Charge

InChI

InChI=1S/C12H8O6/c13-9-5-3-1-2-4(7(5)11(15)17-9)8-6(3)10(14)18-12(8)16/h1-8H

InChIKey

XLOGCGOPKPCECW-UHFFFAOYSA-N

Canonic Smiles

O=C1OC(=O)C2C1C1C=CC2C2C1C(=O)OC2=O

Isomeric Smiles

O=C1C2C3C4C(C(C2C(=O)O1)C=C3)C(=O)OC4=O

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.4248753

LogD (pH = 7.4)

-0.4248753

Log P

-0.4248753

Molar Refractivity

54.5664

Polarizability

21.595592

Polar Surface Area

86.74

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acid dianhydride4,4a,8,8a-Tetrahydro-4,8-ethenobenzo[1,2-c:4,5-c']difuran-1,3,5,7(3aH,7aH)-tetraoneBicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic dianhydride双环[2.2.2]辛-7-烯-2,3,5,6-四羧酸二酐

IUPAC Traditional name

4,10-dioxatetracyclo[5.5.2.0^{2,6}.0^{8,12}]tetradec-13-ene-3,5,9,11-tetrone 4,10-dioxatetracyclo[5.5.2.0²,⁶.0⁸,¹²]tetradec-13-ene-3,5,9,11-tetrone

IUPAC name

4,10-dioxatetracyclo[5.5.2.0^{2,6}.0^{8,12}]tetradec-13-ene-3,5,9,11-tetrone 4,10-dioxatetracyclo[5.5.2.0²,⁶.0⁸,¹²]tetradec-13-ene-3,5,9,11-tetrone

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Beilstein Number

EC Number

Registration numbers

Properties

Safety Information

Storage Warning

Irritant/Moisture Sensitive/Store under Argon

Moisture Sensitive

Risk Statements

36/37/38

Safety Statements

26-37

GHS Hazard statements

H315-H319-H335

European Hazard Symbols

Irritant (Xi)

TSCA Listed

否

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501A

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Physical Property

Melting Point

>300°C

ca 360°C

Product Information

Purity

97%

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

暂无数据

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

IUPAC Traditional name

4,10-dioxatetracyclo[5.5.2.0^{2,6}.0^{8,12}]tetradec-13-ene-3,5,9,11-tetrone 4,10-dioxatetracyclo[5.5.2.0²,⁶.0⁸,¹²]tetradec-13-ene-3,5,9,11-tetrone

IUPAC name

4,10-dioxatetracyclo[5.5.2.0^{2,6}.0^{8,12}]tetradec-13-ene-3,5,9,11-tetrone 4,10-dioxatetracyclo[5.5.2.0²,⁶.0⁸,¹²]tetradec-13-ene-3,5,9,11-tetrone

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Beilstein Number

EC Number

Properties

Safety Information

Storage Warning

Irritant/Moisture Sensitive/Store under Argon

Moisture Sensitive

Risk Statements

36/37/38

Safety Statements

26-37

GHS Hazard statements

H315-H319-H335

European Hazard Symbols

Irritant (Xi)

TSCA Listed

否

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501A

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Physical Property

Melting Point

>300°C

ca 360°C

Product Information

Purity

97%

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Molecule

ID:83465