Cas no 89741-56-0 (Benzenedicarboxylic acid, dicyano-)
89741-56-0 structure
Product Name:Benzenedicarboxylic acid, dicyano-
CAS No:89741-56-0
MF:C10H4N2O4
MW:216.149762153625
CID:590520
PubChem ID:71325899
Update Time:2025-04-19
Benzenedicarboxylic acid, dicyano- Chemical and Physical Properties
Names and Identifiers
-
- Benzenedicarboxylic acid, dicyano-
- 3,4-dicyanophthalic acid
- dicyanophthalic acid
- 89741-56-0
- DTXSID20755166
- 3,4-Dicyanobenzene-1,2-dicarboxylic acid
-
- Inchi： 1S/C10H4N2O4/c11-3-5-1-2-6(9(13)14)8(10(15)16)7(5)4-12/h1-2H,(H,13,14)(H,15,16)
- InChI Key： FGZAEZRPSHYCQU-UHFFFAOYSA-N
- SMILES： OC(C1C(C#N)=C(C#N)C=CC=1C(=O)O)=O
Computed Properties
- Exact Mass: 216.01710661g/mol
- Monoisotopic Mass: 216.01710661g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 413
- 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: 0.4
- Topological Polar Surface Area: 122?2
Benzenedicarboxylic acid, dicyano- Related Literature
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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