Cas no 16866-66-3 (Benzoic acid,2-hydroxy-, 3-pyridinylmethyl ester)
16866-66-3 structure
Product Name:Benzoic acid,2-hydroxy-, 3-pyridinylmethyl ester
CAS No:16866-66-3
MF:C13H11NO3
MW:229.231343507767
CID:196286
PubChem ID:40918
Update Time:2025-04-19
Benzoic acid,2-hydroxy-, 3-pyridinylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-hydroxy-, 3-pyridinylmethyl ester
- pyridin-3-ylmethyl 2-hydroxybenzoate
- 16866-66-3
- DTXSID90168587
- nicotinyl salicylate
- 3-Pyridylmethylsalicylate
-
- Inchi： 1S/C13H11NO3/c15-12-6-2-1-5-11(12)13(16)17-9-10-4-3-7-14-8-10/h1-8,15H,9H2
- InChI Key： IWBWXPBNVXPLRS-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1O)=O)CC1C=NC=CC=1
Computed Properties
- Exact Mass: 229.07393
- Monoisotopic Mass: 229.073893
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 257
- 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
- Topological Polar Surface Area: 59.4
- XLogP3: 2.4
Experimental Properties
- Density: 1.275
- Boiling Point: 376.2°Cat760mmHg
- Flash Point: 181.3°C
- Refractive Index: 1.612
- PSA: 59.42
Benzoic acid,2-hydroxy-, 3-pyridinylmethyl ester Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
16866-66-3 (Benzoic acid,2-hydroxy-, 3-pyridinylmethyl ester) Related Products
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