Cas no 64576-62-1 (2,4-Dicyanobenzoic acid)
2,4-Dicyanobenzoic acid structure
Product Name:2,4-Dicyanobenzoic acid
CAS No:64576-62-1
MF:C9H4N2O2
MW:172.140261650085
CID:2792339
PubChem ID:19373907
Update Time:2025-04-21
2,4-Dicyanobenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 64576-62-1
- SCHEMBL4849617
- DTXSID90598481
- 2,4-Dicyanobenzoic acid
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- Inchi： 1S/C9H4N2O2/c10-4-6-1-2-8(9(12)13)7(3-6)5-11/h1-3H,(H,12,13)
- InChI Key： PWLRRTBZBBCBJH-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(C#N)=CC=1C#N)=O
Computed Properties
- Exact Mass: 172.027277375Da
- Monoisotopic Mass: 172.027277375Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 306
- 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: 1.2
- Topological Polar Surface Area: 84.9?2
2,4-Dicyanobenzoic acid Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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