Cas no 138007-50-8 (1,2-Benzenedicarbonitrile, 3-ethoxy-6-hydroxy-)
138007-50-8 structure
Product Name:1,2-Benzenedicarbonitrile, 3-ethoxy-6-hydroxy-
CAS No:138007-50-8
MF:C10H8N2O2
MW:188.182722091675
CID:1256939
PubChem ID:77174659
Update Time:2025-04-20
1,2-Benzenedicarbonitrile, 3-ethoxy-6-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarbonitrile, 3-ethoxy-6-hydroxy-
- 3-ethoxy-6-hydroxy-1,2-Benzenedicarbonitrile
- DB-063226
- 138007-50-8
-
- Inchi： 1S/C10H8N2O2/c1-2-14-10-4-3-9(13)7(5-11)8(10)6-12/h3-4,13H,2H2,1H3
- InChI Key： QLHRFIUTNCRMGD-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC(=C(C#N)C=1C#N)O
Computed Properties
- Exact Mass: 188.05864
- Monoisotopic Mass: 188.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 285
- 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
- Topological Polar Surface Area: 77A^2
- XLogP3: 1.9
Experimental Properties
- PSA: 77.04
1,2-Benzenedicarbonitrile, 3-ethoxy-6-hydroxy- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
138007-50-8 (1,2-Benzenedicarbonitrile, 3-ethoxy-6-hydroxy-) Related Products
- 6609-57-0(2-Ethoxybenzonitrile)
- 77533-17-6(3-Methoxy-2-methylbenzonitrile)
- 53005-44-0(2-Methoxy-6-methylbenzonitrile)
- 77474-62-5(1,2-Benzenedicarbonitrile,3-phenoxy-)
- 313655-45-7(2-(2-Hydroxyethoxy)-benzonitrile)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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