Cas no 55483-01-7 (5,7-Dihydroxy-6-methyl-1(3H)-isobenzofuranon)
55483-01-7 structure
Product Name:5,7-Dihydroxy-6-methyl-1(3H)-isobenzofuranon
CAS No:55483-01-7
MF:C9H8O4
MW:180.157423019409
CID:2017541
PubChem ID:13963319
Update Time:2025-04-21
5,7-Dihydroxy-6-methyl-1(3H)-isobenzofuranon Chemical and Physical Properties
Names and Identifiers
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- 5,7-Dihydroxy-6-methyl-1(3H)-isobenzofuranon
- 5,7-Dihydroxy-6-methyl-1(3H)-isobenzofuranone
- 5,7-dihydroxy-6-methyl-3H-isobenzofuran-1-one
- 5,7-Dihydroxy-6-methylphthalid
- 5,7-dihydroxy-6-methylphthalide
- DB-295884
- 55483-01-7
-
- Inchi： 1S/C9H8O4/c1-4-6(10)2-5-3-13-9(12)7(5)8(4)11/h2,10-11H,3H2,1H3
- InChI Key： KFOVHCBSJURLKO-UHFFFAOYSA-N
- SMILES： CC1C(O)=C2C(COC2=O)=CC=1O
Computed Properties
- Exact Mass: 180.04225873Da
- Monoisotopic Mass: 180.04225873Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 228
- 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: 1.6
- Topological Polar Surface Area: 66.8?2
5,7-Dihydroxy-6-methyl-1(3H)-isobenzofuranon Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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