Cas no 199604-25-6 (Carbamic acid, [(4-cyanophenyl)methylene]-, methyl ester (9CI))
![Carbamic acid, [(4-cyanophenyl)methylene]-, methyl ester (9CI) structure](https://ossimg.kuujia.com/scimg/200000/199604-25-6x500.png)
199604-25-6 structure
Product Name:Carbamic acid, [(4-cyanophenyl)methylene]-, methyl ester (9CI)
CAS No:199604-25-6
MF:C10H8N2O2
MW:188.182722091675
CID:1391268
PubChem ID:71435836
Update Time:2025-04-20
Carbamic acid, [(4-cyanophenyl)methylene]-, methyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid, [(4-cyanophenyl)methylene]-, methyl ester (9CI)
- Carbamic acid, [(4-cyanophenyl)methylene]-, methyl ester (9CI)
- 199604-25-6
- Carbamic acid,[(4-cyanophenyl)methylene]-,methyl ester(9ci)
-
- Inchi： 1S/C10H8N2O2/c1-14-10(13)12-7-9-4-2-8(6-11)3-5-9/h2-5,7H,1H3
- InChI Key： SEPWPTGSUMAPPK-UHFFFAOYSA-N
- SMILES： O(C)C(N=CC1C=CC(C#N)=CC=1)=O
Computed Properties
- Exact Mass: 188.05864
- Monoisotopic Mass: 188.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 269
- 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
- Topological Polar Surface Area: 62.4A^2
- XLogP3: 1.6
Experimental Properties
- PSA: 62.45
Carbamic acid, [(4-cyanophenyl)methylene]-, methyl ester (9CI) Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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