Cas no 69151-94-6 (3(2H)-Benzofuranone, 6-hydroxy-7-methoxy-)
69151-94-6 structure
Product Name:3(2H)-Benzofuranone, 6-hydroxy-7-methoxy-
CAS No:69151-94-6
MF:C9H8O4
MW:180.157423019409
CID:1733412
PubChem ID:21856576
Update Time:2025-04-21
3(2H)-Benzofuranone, 6-hydroxy-7-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 3(2H)-Benzofuranone, 6-hydroxy-7-methoxy-
- SCHEMBL11537303
- DB-140726
- YFAPWVHCUFTIMX-UHFFFAOYSA-N
- 69151-94-6
- 6-hydroxy-7-methoxybenzofuran-3(2H)-one
- 6-hydroxy-7-methoxy-3(2H)-benzofuranone
-
- Inchi： 1S/C9H8O4/c1-12-9-6(10)3-2-5-7(11)4-13-8(5)9/h2-3,10H,4H2,1H3
- InChI Key： YFAPWVHCUFTIMX-UHFFFAOYSA-N
- SMILES： O1CC(C2C=CC(=C(C1=2)OC)O)=O
Computed Properties
- Exact Mass: 180.04225873g/mol
- Monoisotopic Mass: 180.04225873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 216
- 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: 1.1
- Topological Polar Surface Area: 55.8?2
3(2H)-Benzofuranone, 6-hydroxy-7-methoxy- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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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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