Cas no 893735-91-6 (Benzoic acid,3-(3-quinolinyl)-)
893735-91-6 structure
Product Name:Benzoic acid,3-(3-quinolinyl)-
CAS No:893735-91-6
MF:C17H13NO2
MW:263.290624380112
CID:714648
PubChem ID:53425072
Update Time:2025-04-19
Benzoic acid,3-(3-quinolinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-(3-quinolinyl)-
- 3-(2-METHYLQUINOLIN-6-YL)BENZOIC ACID
- 3-(2-METHYL(QUINOLIN-6-YL))BENZOIC ACID
- 3-(Quinolin-6-yl)benzoic acid
- Benzoic acid,3-(3-quinolinyl)
- 3-(QUINOLIN-3-YL)BENZOIC ACID
- AKOS019795582
- DTXSID80698722
- 893735-91-6
-
- Inchi： 1S/C17H13NO2/c1-11-5-6-14-9-13(7-8-16(14)18-11)12-3-2-4-15(10-12)17(19)20/h2-10H,1H3,(H,19,20)
- InChI Key： ZFRUFNQVDXZPEE-UHFFFAOYSA-N
- SMILES： OC(C1=CC=CC(=C1)C1C=CC2C(=CC=C(C)N=2)C=1)=O
Computed Properties
- Exact Mass: 263.09500
- Monoisotopic Mass: 263.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 357
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.7
- Topological Polar Surface Area: 50.2A^2
Experimental Properties
- PSA: 50.19000
- LogP: 3.90840
Benzoic acid,3-(3-quinolinyl)- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
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
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Jason Wan Lab Chip, 2020,20, 4528-4538
893735-91-6 (Benzoic acid,3-(3-quinolinyl)-) Related Products
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