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Home > Encyclopedia > 3-oxo-1H-2-benzofuran-1-carboxylic acid

3-oxo-1H-2-benzofuran-1-carboxylic acid

3-oxo-1H-2-benzofuran-1-carboxylic acid structure

3-oxo-1H-2-benzofuran-1-carboxylic acid 

structure
  • CAS No:

    708-14-5

  • Formula:

    C9H6O4

  • Chemical Name:

    3-oxo-1H-2-benzofuran-1-carboxylic acid

  • Synonyms:

    3-oxo-1,3-dihydro-2-benzofuran-1-carboxylic acid;708-14-5;3-oxo-1H-2-benzofuran-1-carboxylic acid;3-Phthalidecarboxylic acid;MFCD03086017;NSC121604;phthalidecarboxylic acid;phthalide-3-carboxylic acid;SCHEMBL1408521;DTXSID20298220;AMY38349;SBB089378;3-oxohydroisobenzofurancarboxylic acid;AKOS006278320;NSC-121604;1,3-dihydro-3-oxo-1-isobenzofurancarboxylic acid;3-Oxo-1,3-dihydroisobenzofuran-1-carboxylic acid;AO-801/41077494

3-oxo-1H-2-benzofuran-1-carboxylic acid Basic Attributes

178.14 g/mol

178.02660867 g/mol

121604

DTXSID20298220

Characteristics

63.6 Ų

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:178.14
XLogP3:0.8
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
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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