Cas no 68937-93-9 (5-p-Tolylnicotinic acid)
5-p-Tolylnicotinic acid structure
Product Name:5-p-Tolylnicotinic acid
CAS No:68937-93-9
MF:C13H11NO2
MW:213.231943368912
CID:972682
Update Time:2023-08-02
5-p-Tolylnicotinic acid Chemical and Physical Properties
Names and Identifiers
-
- curcurbit seed globulins
- Globulins (cucurbit seed)
- Globulins, cucurbit seed
- 5-p-Tolylnicotinic acid
- 5-(P-tolyl)nicotinic acid
- 5-(4-methylphenyl)pyridine-3-carboxylic acid
- 5-(4-Methylphenyl)nicotinic acid
- 5-p-tolylpyridine-3-carboxylic acid
- AB24270
- BB 0223394
- V8802
- Z1405445830
-
- Inchi： 1S/C13H11NO2/c1-9-2-4-10(5-3-9)11-6-12(13(15)16)8-14-7-11/h2-8H,1H3,(H,15,16)
- InChI Key： VMJRUHLJFKPQHV-UHFFFAOYSA-N
- SMILES： OC(C1=CN=CC(=C1)C1C=CC(C)=CC=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 246
- XLogP3: 2.4
- Topological Polar Surface Area: 50.2
5-p-Tolylnicotinic acid Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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