Cas no 216060-22-9 (Benzoic acid,4-(3-pyridazinyl)-)
216060-22-9 structure
Product Name:Benzoic acid,4-(3-pyridazinyl)-
CAS No:216060-22-9
MF:C11H8N2O2
MW:200.193422317505
CID:254221
PubChem ID:18182561
Update Time:2025-04-19
Benzoic acid,4-(3-pyridazinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-(3-pyridazinyl)-
- 4-(PYRIDAZIN-3-YL)BENZOIC ACID
- 4-pyridazin-3-ylbenzoic acid
- OR2125
- 216060-22-9
- DTXSID10592628
- SCHEMBL6213928
-
- Inchi： 1S/C11H8N2O2/c14-11(15)9-5-3-8(4-6-9)10-2-1-7-12-13-10/h1-7H,(H,14,15)
- InChI Key： FJBBZZOMNVFEHC-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(=CC=1)C1=CC=CN=N1)=O
Computed Properties
- Exact Mass: 200.05900
- Monoisotopic Mass: 200.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 225
- 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: 1
- Topological Polar Surface Area: 63.1?2
Experimental Properties
- PSA: 63.08000
- LogP: 1.84180
Benzoic acid,4-(3-pyridazinyl)- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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