Cas no 78212-98-3 (2(3H)-Benzofuranone,5-hydroxy-6-methyl-)
78212-98-3 structure
Product Name:2(3H)-Benzofuranone,5-hydroxy-6-methyl-
CAS No:78212-98-3
MF:C9H8O3
MW:164.158022880554
CID:551851
PubChem ID:22910794
Update Time:2025-04-19
2(3H)-Benzofuranone,5-hydroxy-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Benzofuranone,5-hydroxy-6-methyl-
- Aceticacid, (2,5-dihydroxy-p-tolyl)-, g-lactone (6CI)
- WJCNGMOBLTZNLD-UHFFFAOYSA-N
- 78212-98-3
- 5-hydroxy-6-methyl-3H-benzofuran-2-one
- SCHEMBL8824073
- 5-Hydroxy-6-methylbenzofuran-2(3H)-one
-
- Inchi： 1S/C9H8O3/c1-5-2-8-6(3-7(5)10)4-9(11)12-8/h2-3,10H,4H2,1H3
- InChI Key： WJCNGMOBLTZNLD-UHFFFAOYSA-N
- SMILES： O1C(CC2C=C(C(C)=CC1=2)O)=O
Computed Properties
- Exact Mass: 164.047
- Monoisotopic Mass: 164.047
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 202
- 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
- Topological Polar Surface Area: 46.5A^2
- XLogP3: 1.4
2(3H)-Benzofuranone,5-hydroxy-6-methyl- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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