Cas no 62596-57-0 (1,3-Isobenzofurandione,4-hydroxy-7-methyl-(9CI))
62596-57-0 structure
Product Name:1,3-Isobenzofurandione,4-hydroxy-7-methyl-(9CI)
CAS No:62596-57-0
MF:C9H6O4
MW:178.14154291153
CID:956942
Update Time:2022-09-22
1,3-Isobenzofurandione,4-hydroxy-7-methyl-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,3-Isobenzofurandione,4-hydroxy-7-methyl-(9CI)
- 1,3-Isobenzofurandione, 4-hydroxy-7-methyl-
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- Inchi： 1S/C9H6O4/c1-4-2-3-5(10)7-6(4)8(11)13-9(7)12/h2-3,10H,1H3
- InChI Key： MMCKOAAEPCFRSN-UHFFFAOYSA-N
- SMILES： C1(=O)C2=C(C(O)=CC=C2C)C(=O)O1
Computed Properties
- Exact Mass: 178.027
- Monoisotopic Mass: 178.027
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 260
- 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: 63.6A^2
1,3-Isobenzofurandione,4-hydroxy-7-methyl-(9CI) Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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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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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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