Cas no 133505-06-3 (2-Phenylquinoline-3,4-dicarboxylic acid)
133505-06-3 structure
Product Name:2-Phenylquinoline-3,4-dicarboxylic acid
CAS No:133505-06-3
MF:C17H11NO4
MW:293.273544549942
CID:2770776
PubChem ID:71341092
Update Time:2025-04-21
2-Phenylquinoline-3,4-dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- DTXSID30768106
- DTXCID90718849
- 133505-06-3
- SB70482
- 2-Phenylquinoline-3,4-dicarboxylic acid
-
- Inchi： 1S/C17H11NO4/c19-16(20)13-11-8-4-5-9-12(11)18-15(14(13)17(21)22)10-6-2-1-3-7-10/h1-9H,(H,19,20)(H,21,22)
- InChI Key： GQJLNYCMDZQHSM-UHFFFAOYSA-N
- SMILES： OC(C1=C(C(=O)O)C(C2C=CC=CC=2)=NC2C=CC=CC1=2)=O
Computed Properties
- Exact Mass: 293.06880783Da
- Monoisotopic Mass: 293.06880783Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 432
- 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: 2.9
- Topological Polar Surface Area: 87.5?2
2-Phenylquinoline-3,4-dicarboxylic acid Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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