Cas no 68535-48-8 (Benzoic acid, 5-cyano-2-hydroxy-, ethyl ester)
68535-48-8 structure
Product Name:Benzoic acid, 5-cyano-2-hydroxy-, ethyl ester
CAS No:68535-48-8
MF:C10H9NO3
MW:191.183362722397
CID:2109003
Update Time:2023-08-04
Benzoic acid, 5-cyano-2-hydroxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- ethyl 5-cyano-2-hydroxybenzoate
- Benzoic acid, 5-cyano-2-hydroxy-, ethyl ester
-
- Inchi： 1S/C10H9NO3/c1-2-14-10(13)8-5-7(6-11)3-4-9(8)12/h3-5,12H,2H2,1H3
- InChI Key： FMPXYNHVTVLFLD-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=C(C#N)C=CC=1O)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 255
- XLogP3: 2.7
- Topological Polar Surface Area: 70.3
Benzoic acid, 5-cyano-2-hydroxy-, ethyl ester Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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