Cas no 111172-29-3 (1,2-Benzenedicarbonitrile, 4-(hydroxyphenylmethyl)-)
111172-29-3 structure
Product Name:1,2-Benzenedicarbonitrile, 4-(hydroxyphenylmethyl)-
CAS No:111172-29-3
MF:C15H10N2O
MW:234.25270318985
CID:1196793
PubChem ID:14008617
Update Time:2025-04-20
1,2-Benzenedicarbonitrile, 4-(hydroxyphenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarbonitrile, 4-(hydroxyphenylmethyl)-
- 4-[hydroxy(phenyl)methyl]benzene-1,2-dicarbonitrile
- SCHEMBL10340789
- 111172-29-3
- DTXSID90554229
-
- Inchi： 1S/C15H10N2O/c16-9-13-7-6-12(8-14(13)10-17)15(18)11-4-2-1-3-5-11/h1-8,15,18H
- InChI Key： UNTIQVZFFIKHPF-UHFFFAOYSA-N
- SMILES： OC(C1C=CC=CC=1)C1C=CC(C#N)=C(C#N)C=1
Computed Properties
- Exact Mass: 234.0794
- Monoisotopic Mass: 234.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 368
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 67.8?2
Experimental Properties
- PSA: 67.81
1,2-Benzenedicarbonitrile, 4-(hydroxyphenylmethyl)- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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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
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
111172-29-3 (1,2-Benzenedicarbonitrile, 4-(hydroxyphenylmethyl)-) Related Products
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