Cas no 918668-57-2 (Benzoic acid, 2-formyl-5-hydroxy-3-methoxy-)
918668-57-2 structure
Product Name:Benzoic acid, 2-formyl-5-hydroxy-3-methoxy-
CAS No:918668-57-2
MF:C9H8O5
MW:196.156823158264
CID:771575
PubChem ID:44421882
Update Time:2025-04-19
Benzoic acid, 2-formyl-5-hydroxy-3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-formyl-5-hydroxy-3-methoxy-
- 2-formyl-5-hydroxy-3-methoxybenzoic acid
- 918668-57-2
- DTXSID40658923
- CHEMBL223944
-
- Inchi: 1S/C9H8O5/c1-14-8-3-5(11)2-6(9(12)13)7(8)4-10/h2-4,11H,1H3,(H,12,13)
- InChI Key: IUOZSRREQSUYNI-UHFFFAOYSA-N
- SMILES: O(C)C1=CC(=CC(C(=O)O)=C1C=O)O
Computed Properties
- Exact Mass: 196.03717335g/mol
- Monoisotopic Mass: 196.03717335g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 227
- 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: 0.5
- Topological Polar Surface Area: 83.8?2
Benzoic acid, 2-formyl-5-hydroxy-3-methoxy- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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