3-hydroxy-4-nitro-3H-isobenzofuran-1-one

Base Information

• Chemical Name: 3-hydroxy-4-nitro-3H-isobenzofuran-1-one
• CAS No.: 39830-64-3
• Molecular Formula: C₈H₅NO₅
• Molecular Weight: 195.131
• DSSTox Substance ID: DTXSID30455009
• Nikkaji Number: J659.539A
• Mol file: 39830-64-3.mol

Synonyms:3-hydroxy-4-nitro-3H-isobenzofuran-1-one;39830-64-3;3-hydroxy-4-nitro-phthalide;3-hydroxy-4-nitrophthalide;4-nitro-3-hydroxyphthalide;SCHEMBL1398203;DTXSID30455009;QUWCDANYAUHCRM-UHFFFAOYSA-N;3-Hydroxy-4-nitroisobenzofuran-1(3H)-one;3-hydroxy-4-nitro-2-benzofuran-1(3H)-one;1(3H)-Isobenzofuranone, 3-hydroxy-4-nitro- (9CI, ACI);3-Hydroxy-4-nitro-1(3H)-isobenzofuranone (ACI);3-Hydroxy-4-nitro-1,3-dihydro-2-benzofuran-1-one;3-Hydroxy-4-nitro-2-benzofuran-1(3H)-one;3-Hydroxy-4-nitrophthalide

Chemical Property of 3-hydroxy-4-nitro-3H-isobenzofuran-1-one

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 195.01677226
• Heavy Atom Count: 14
• Complexity: 273

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(OC2=O)O)C(=C1)[N+](=O)[O-]

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