Cas no 61407-18-9 (1(3H)-Isobenzofuranone, 6,7-bis(acetyloxy)-)
61407-18-9 structure
Product Name:1(3H)-Isobenzofuranone, 6,7-bis(acetyloxy)-
CAS No:61407-18-9
MF:C12H10O6
MW:250.204204082489
CID:480513
PubChem ID:71396127
Update Time:2025-04-19
1(3H)-Isobenzofuranone, 6,7-bis(acetyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1(3H)-Isobenzofuranone, 6,7-bis(acetyloxy)-
- (4-acetyloxy-3-oxo-1H-2-benzofuran-5-yl) acetate
- DTXSID40817710
- 3-Oxo-1,3-dihydro-2-benzofuran-4,5-diyl diacetate
- 61407-18-9
-
- Inchi： 1S/C12H10O6/c1-6(13)17-9-4-3-8-5-16-12(15)10(8)11(9)18-7(2)14/h3-4H,5H2,1-2H3
- InChI Key： MMEOLYOAZNKEJZ-UHFFFAOYSA-N
- SMILES： O1C(C2C(=C(C=CC=2C1)OC(C)=O)OC(C)=O)=O
Computed Properties
- Exact Mass: 250.0477
- Monoisotopic Mass: 250.04773803g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 377
- 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: 0.9
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- PSA: 78.9
1(3H)-Isobenzofuranone, 6,7-bis(acetyloxy)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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