1(3H)-Isobenzofuranone, 3-pentyl-

Base Information

• Chemical Name: 1(3H)-Isobenzofuranone, 3-pentyl-
• CAS No.: 111943-62-5
• Molecular Formula: C₁₃H₁₆O₂
• Molecular Weight: 204.269
• UNII: 25ND2763MB
• ChEMBL ID: CHEMBL401201
• DSSTox Substance ID: DTXSID40551349
• Mol file: 111943-62-5.mol

Synonyms:1(3H)-Isobenzofuranone, 3-pentyl-;111943-62-5;3-pentylisobenzofuran-1(3H)-one;3-PENTYL-3H-2-BENZOFURAN-1-ONE;3-pentyl-1,3-dihydro-2-benzofuran-1-one;3-Pentylphthalide;3-Pentyl-2-benzofuran-1(3H)-one;CHEMBL401201;SCHEMBL10981573;DTXSID40551349;3-Pentyl-1(3H)-isobenzofuranone;25ND2763MB;1(3H)-Isobenzofuranone, 3-pentyl

Chemical Property of 1(3H)-Isobenzofuranone, 3-pentyl-

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1C2=CC=CC=C2C(=O)O1