1,3-Dihydro-1-oxo-5-isobenzofurancarboxylic acid
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1,3-Dihydro-1-oxo-5-isobenzofurancarboxylic acid
structure -
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CAS No:
4792-29-4
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Formula:
C9H6O4
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Chemical Name:
1,3-Dihydro-1-oxo-5-isobenzofurancarboxylic acid
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Synonyms:
5-Isobenzofurancarboxylic acid,1,3-dihydro-1-oxo-;5-Phthalancarboxylic acid,1-oxo-;1,3-Dihydro-1-oxo-5-isobenzofurancarboxylic acid;1,4-Benzenedicarboxylic acid,(hydroxymethyl)-,γ-lactone;Phthalide-5-carboxylic acid;5-Carboxyphthalide;1-Oxo-1,3-dihydroisobenzofuran-5-carboxylic acid
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CAS No:
1,3-Dihydro-1-oxo-5-isobenzofurancarboxylic acid Basic Attributes
178.14
178.14
225-343-5
DTXSID00197348
2932999099
Characteristics
63.6
1.05520
White to off white odorless powder
1.502
481.1ºC at 760 mmHg
206.3ºC
1.635
Computed Properties
Molecular Weight:178.14
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:178.02660867
Monoisotopic Mass:178.02660867
Topological Polar Surface Area:63.6
Heavy Atom Count:13
Complexity:248
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,3-Dihydro-1-oxo-5-isobenzofurancarboxylic acid
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