Cas no 79427-91-1 (Benzoic acid, 5-butoxy-2-hydroxy-)
79427-91-1 structure
Product Name:Benzoic acid, 5-butoxy-2-hydroxy-
CAS No:79427-91-1
MF:C11H14O4
MW:210.226463794708
CID:532852
PubChem ID:9815700
Update Time:2025-04-19
Benzoic acid, 5-butoxy-2-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 5-butoxy-2-hydroxy-
- 5-butoxy-2-hydroxyBenzoic acid
- 79427-91-1
- FT-0711899
- DTXSID70431180
- AHOYBBZASFMDDD-UHFFFAOYSA-N
- SCHEMBL1576849
-
- Inchi： 1S/C11H14O4/c1-2-3-6-15-8-4-5-10(12)9(7-8)11(13)14/h4-5,7,12H,2-3,6H2,1H3,(H,13,14)
- InChI Key： AHOYBBZASFMDDD-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=C(C(=O)O)C=1)O)CCCC
Computed Properties
- Exact Mass: 210.08920892g/mol
- Monoisotopic Mass: 210.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 205
- 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: 3.8
- Topological Polar Surface Area: 66.8?2
Benzoic acid, 5-butoxy-2-hydroxy- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
79427-91-1 (Benzoic acid, 5-butoxy-2-hydroxy-) Related Products
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