1,1′-[(3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene] dibutanoate
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![1,1′-[(3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene] dibutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2e8ec4b5a10c4b1aa220584f581b5324.png "1,1′-[(3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene] dibutanoate")
1,1′-[(3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene] dibutanoate
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CAS No:
62625-15-4
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Formula:
C28H26O6
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Chemical Name:
1,1′-[(3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene] dibutanoate
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Synonyms:
Butanoic acid,1,1′-[(3-oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene] ester;Butanoic acid,(3-oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene ester;Phenolphthalein,dibutyrate;1,1′-[(3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene] dibutanoate;NSC 83609
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CAS No:
1,1′-[(3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene] dibutanoate Basic Attributes
458.5 g/mol
458.50
263-646-4
83609
DTXSID5069592
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
1,1′-[(3-Oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene] dibutanoate Use and Manufacturing
Butanoic acid, 1,1'-[(3-oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene] ester: INACTIVE
Computed Properties
Molecular Weight:458.5
XLogP3:5.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:458.17293854
Monoisotopic Mass:458.17293854
Topological Polar Surface Area:78.9
Heavy Atom Count:34
Complexity:676
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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