63-36-5 (水杨酸盐,Salicylate)

快速询单

结构式：

水杨酸盐MOL文件

CAS号：

63-36-5

中文名称：

水杨酸盐

英文名称：

Salicylate

分子式：

C₇H₅O₃

分子量：

137.112802267075

水杨酸盐(63-36-5)名称与标识符

名称

英文别名：

2-Hydroxybenzoic acid ion(1-);Chebi:30762;o-Hydroxybenzoate;2-carboxyphenolate;

标识符

InChIKey：

YGSDEFSMJLZEOE-UHFFFAOYSA-M

Inchi：

1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1

SMILES：

C([O-])(=O)C1=CC=CC=C1O

水杨酸盐(63-36-5)物化性质

计算特性

精确分子量 : 137.023869017g/mol
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 1
同位素质量 : 137.023869017g/mol
重原子数量 : 10
复杂度 : 133
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.4
拓扑分子极性表面积 : 60.4Å²

水杨酸盐(63-36-5)相关文献

1. Experimental and computational thermochemistry: how strong is the intramolecular hydrogen bond in alkyl 2-hydroxybenzoates (salicylates)
Sergey P. Verevkin,Svetlana V. Portnova,Vladimir N. Emel’yanenko,Ruslan N. Nagrimanov,Mikhail A. Varfolomeev Phys. Chem. Chem. Phys. 2023 25 21200
2. Synthesis and bioevaluation of aryl hydroxamates distinguishing between NAD+ and ATP-dependent DNA ligases
Vandna Kukshal,Mridul Mishra,Arya Ajay,Taran Khanam,Rahul Sharma,Divya Dube,Deepti Chopra,Rama Pati Tripathi,Ravishankar Ramachandran Med. Chem. Commun. 2012 3 453
3. Synthesis and evaluation of M. tuberculosis salicylate synthase (MbtI) inhibitors designed to probe plasticity in the active site
Alexandra Manos-Turvey,Katie M. Cergol,Noeris K. Salam,Esther M. M. Bulloch,Gamma Chi,Angel Pang,Warwick J. Britton,Nicholas P. West,Edward N. Baker,J. Shaun Lott,Richard J. Payne Org. Biomol. Chem. 2012 10 9223
4. Rapid, controlled ring-opening polymerization of salicylic acid o-carboxyanhydride for poly(salicylate) synthesis
Song Han,Shiman Yao,Wei Meng,Jing Yang Polym. Chem. 2021 12 6465
5. Degradation of methyl salicylate through Cl initiated atmospheric oxidation – a theoretical study
A. Mano Priya,L. Senthilkumar RSC Adv. 2014 4 23464
6. Toward a new type of proton conductor based on imidazole and aromatic acids
Sylwia Zi?ba,Alina T. Dubis,Andrzej K. Gzella,Pawe? ?awniczak,Katarzyna Pogorzelec-Glaser,Andrzej ?apiński Phys. Chem. Chem. Phys. 2019 21 17152
7. Highly sensitive electrochemical detection of methyl salicylate using electroactive gold nanoparticles
Yogeswaran Umasankar,Ramaraja P. Ramasamy Analyst 2013 138 6623
8. Carboxyl radical-assisted 1,5-aryl migration through Smiles rearrangement
Asik Hossian,Ranjan Jana Org. Biomol. Chem. 2016 14 9768
9. Highly sensitive salicylic fluorophore for visual detection of picomole amounts of Cu2+
Nakorn Niamnont,Nattaporn Kimpitak,Gamolwan Tumcharern,Paitoon Rashatasakhon,Mongkol Sukwattanasinitt RSC Adv. 2013 3 25215
10. Physicochemical and structural properties of lidocaine-based ionic liquids with anti-inflammatory anions
Jovana Pani?,Aleksandar Tot,Nenad Jankovi?,Patrik Drid,Slobodan Gad?uri?,Milan Vrane? RSC Adv. 2020 10 14089

63-36-5 (水杨酸盐,Salicylate)

水杨酸盐(63-36-5)名称与标识符

名称

标识符

水杨酸盐(63-36-5)物化性质

计算特性

水杨酸盐(63-36-5)相关文献

目录