Cas no 91971-26-5 (Benzoic acid, 2-(2-hydroxyethoxy)-, ethyl ester)
91971-26-5 structure
Product Name:Benzoic acid, 2-(2-hydroxyethoxy)-, ethyl ester
CAS No:91971-26-5
MF:C11H14O4
MW:210.226463794708
CID:2814504
PubChem ID:12219553
Update Time:2025-04-21
Benzoic acid, 2-(2-hydroxyethoxy)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- DTXSID00481017
- 91971-26-5
- A1-05690
- Benzoic acid, 2-(2-hydroxyethoxy)-, ethyl ester
- Ethyl 2-(2-hydroxyethoxy)benzoate
-
- Inchi： 1S/C11H14O4/c1-2-14-11(13)9-5-3-4-6-10(9)15-8-7-12/h3-6,12H,2,7-8H2,1H3
- InChI Key： OSTPPPKMSVFESB-UHFFFAOYSA-N
- SMILES： O(CCO)C1C=CC=CC=1C(=O)OCC
Computed Properties
- Exact Mass: 210.08920892Da
- Monoisotopic Mass: 210.08920892Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 193
- 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: 1.1
- Topological Polar Surface Area: 55.8?2
Benzoic acid, 2-(2-hydroxyethoxy)-, ethyl ester Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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