Cas no 89646-25-3 (Benzoic acid, 3-hydroxy-2-(2-hydroxybenzoyl)-)
89646-25-3 structure
Product Name:Benzoic acid, 3-hydroxy-2-(2-hydroxybenzoyl)-
CAS No:89646-25-3
MF:C14H10O5
MW:258.226204395294
CID:593620
PubChem ID:13148382
Update Time:2025-04-19
Benzoic acid, 3-hydroxy-2-(2-hydroxybenzoyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-hydroxy-2-(2-hydroxybenzoyl)-
- 3-hydroxy-2-(2-hydroxybenzoyl)benzoic acid
- DTXSID30522063
- 89646-25-3
-
- Inchi： 1S/C14H10O5/c15-10-6-2-1-4-8(10)13(17)12-9(14(18)19)5-3-7-11(12)16/h1-7,15-16H,(H,18,19)
- InChI Key： APWBXDGFIBYUIC-UHFFFAOYSA-N
- SMILES： OC1=CC=CC(C(=O)O)=C1C(C1C=CC=CC=1O)=O
Computed Properties
- Exact Mass: 258.05282342g/mol
- Monoisotopic Mass: 258.05282342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 354
- 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: 2.6
- Topological Polar Surface Area: 94.8?2
Benzoic acid, 3-hydroxy-2-(2-hydroxybenzoyl)- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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