Cas no 749192-05-0 (Benzoic acid,3-amino-2-hydroxy-, butyl ester)
749192-05-0 structure
Product Name:Benzoic acid,3-amino-2-hydroxy-, butyl ester
CAS No:749192-05-0
MF:C11H15NO3
MW:209.241703271866
CID:561357
PubChem ID:21423623
Update Time:2025-04-19
Benzoic acid,3-amino-2-hydroxy-, butyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid,3-amino-2-hydroxy-, butyl ester
- Benzoic acid, 3-amino-2-hydroxy-, butyl ester (9CI)
- 749192-05-0
- butyl 3-amino-2-hydroxybenzoate
-
- Inchi： 1S/C11H15NO3/c1-2-3-7-15-11(14)8-5-4-6-9(12)10(8)13/h4-6,13H,2-3,7,12H2,1H3
- InChI Key： RFYZYRUDVWBJEI-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=C(C=1O)N)=O)CCCC
Computed Properties
- Exact Mass: 209.105
- Monoisotopic Mass: 209.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 208
- 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: 3.9
- Topological Polar Surface Area: 72.6A^2
Benzoic acid,3-amino-2-hydroxy-, butyl ester Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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