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1,3-Dihydro-1-oxo-4-isobenzofurancarboxylicacid

1,3-Dihydro-1-oxo-4-isobenzofurancarboxylicacid structure

CAS No:
4792-27-2
Formula:
C9H6O4
Chemical Name:
1,3-Dihydro-1-oxo-4-isobenzofurancarboxylicacid
Synonyms:
1,3-Dihydro-1-oxo-4-isobenzofurancarboxylic acid;4-Isobenzofurancarboxylic acid, 1,3-dihydro-1-oxo-;1-Oxo-1,3-dihydro-isobenzofuran-4-carboxylic acid

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1,3-Dihydro-1-oxo-4-isobenzofurancarboxylicacid Basic Attributes

Molecular Weight：

178.14

Exact Mass：

178.02660867

DSSTox ID：

DTXSID70563516

Characteristics

Density：

1.502±0.06 g/cm3

Melting Point：

279-280 °C

Boiling Point：

470.1±45.0 °C(Predicted)

PKA：

3.45±0.20

Computed Properties

Molecular Weight:178.14
XLogP3:0.9
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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Guide of 1,3-Dihydro-1-oxo-4-isobenzofurancarboxylicacid

Basic Attributes
Characteristics
Computed Properties

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