Cas no 29809-16-3 (1(3H)-Isobenzofuranone,7-hydroxy-6-methoxy-)
29809-16-3 structure
Product Name:1(3H)-Isobenzofuranone,7-hydroxy-6-methoxy-
1(3H)-Isobenzofuranone,7-hydroxy-6-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1(3H)-Isobenzofuranone,7-hydroxy-6-methoxy-
- 7-hydroxy-6-methoxy-3H-2-benzofuran-1-one
- 7-Hydroxy-6-methoxy-2-benzofuran-1(3H)-one
- Phthalide, 7-hydroxy-6-methoxy-
- AKOS005167186
- 7-Hydroxy-6-methoxyphthalide
- DTXSID00183948
- 1(3H)-Isobenzofuranone, 7-hydroxy-6-methoxy-
- 7-Hydroxy-6-methoxyisobenzofuran-1(3H)-one
- SCHEMBL15902735
- 29809-16-3
-
- Inchi： 1S/C9H8O4/c1-12-6-3-2-5-4-13-9(11)7(5)8(6)10/h2-3,10H,4H2,1H3
- InChI Key： YJYWSBFTOXPGTL-UHFFFAOYSA-N
- SMILES： O1C(C2C(=C(C=CC=2C1)OC)O)=O
Computed Properties
- Exact Mass: 180.04224
- Monoisotopic Mass: 180.042
- 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: 1.5
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- Density: 1.402
- Boiling Point: 425.8°Cat760mmHg
- Flash Point: 181°C
- Refractive Index: 1.602
- PSA: 55.76
1(3H)-Isobenzofuranone,7-hydroxy-6-methoxy- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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