Cas no 61407-22-5 (1(3H)-Isobenzofuranone, 4,5-dihydroxy-)
61407-22-5 structure
Product Name:1(3H)-Isobenzofuranone, 4,5-dihydroxy-
CAS No:61407-22-5
MF:C8H6O4
MW:166.130842685699
CID:480509
PubChem ID:71396125
Update Time:2025-04-19
1(3H)-Isobenzofuranone, 4,5-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1(3H)-Isobenzofuranone, 4,5-dihydroxy-
- 4,5-dihydroxy-3H-2-benzofuran-1-one
- 4,5-Dihydroxy-2-benzofuran-1(3H)-one
- DTXSID70817708
- 61407-22-5
-
- Inchi： 1S/C8H6O4/c9-6-2-1-4-5(7(6)10)3-12-8(4)11/h1-2,9-10H,3H2
- InChI Key： FPWCSPCJMAFVTA-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC(=C(C=2C1)O)O)=O
Computed Properties
- Exact Mass: 166.02658
- Monoisotopic Mass: 166.02660867g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 203
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
1(3H)-Isobenzofuranone, 4,5-dihydroxy- Related Literature
-
Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
61407-22-5 (1(3H)-Isobenzofuranone, 4,5-dihydroxy-) Related Products
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