Cas no 830320-87-1 (2,6-Naphthalenedicarboxylic acid, 3-cyano-)
830320-87-1 structure
Product Name:2,6-Naphthalenedicarboxylic acid, 3-cyano-
CAS No:830320-87-1
MF:C13H7NO4
MW:241.198983430862
CID:679553
PubChem ID:71416614
Update Time:2025-04-19
2,6-Naphthalenedicarboxylic acid, 3-cyano- Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Naphthalenedicarboxylic acid, 3-cyano-
- 3-cyanonaphthalene-2,6-dicarboxylic acid
- 830320-87-1
- DTXSID20835992
-
- Inchi： 1S/C13H7NO4/c14-6-10-4-9-3-8(12(15)16)2-1-7(9)5-11(10)13(17)18/h1-5H,(H,15,16)(H,17,18)
- InChI Key： JKWHVQDKBJDFQQ-UHFFFAOYSA-N
- SMILES： OC(C1=C(C#N)C=C2C=C(C(=O)O)C=CC2=C1)=O
Computed Properties
- Exact Mass: 241.03750770g/mol
- Monoisotopic Mass: 241.03750770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 411
- 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: 1.9
- Topological Polar Surface Area: 98.4?2
2,6-Naphthalenedicarboxylic acid, 3-cyano- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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