Cas no 61906-76-1 (2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-)
61906-76-1 structure
Product Name:2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-
CAS No:61906-76-1
MF:C14H9NO2
MW:223.226763486862
CID:463403
PubChem ID:4654365
Update Time:2025-04-19
2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)-
- 2-cyano-3-naphthalen-1-ylprop-2-enoic acid
- DTXSID30405281
- 61906-76-1
-
- Inchi： 1S/C14H9NO2/c15-9-12(14(16)17)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-8H,(H,16,17)
- InChI Key： BQAXVZOTBLLUIB-UHFFFAOYSA-N
- SMILES： OC(C(C#N)=CC1C=CC=C2C=CC=CC2=1)=O
Computed Properties
- Exact Mass: 223.06337
- Monoisotopic Mass: 223.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 377
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.1
- Topological Polar Surface Area: 61.1?2
Experimental Properties
- PSA: 61.09
2-Propenoic acid, 2-cyano-3-(1-naphthalenyl)- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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