Cas no 62409-69-2 (9-Phenanthrenecarbonitrile, 10-hydroxy-3,6-dimethoxy-)
62409-69-2 structure
Product Name:9-Phenanthrenecarbonitrile, 10-hydroxy-3,6-dimethoxy-
CAS No:62409-69-2
MF:C17H13NO3
MW:279.290024518967
CID:445720
PubChem ID:12350357
Update Time:2025-04-19
9-Phenanthrenecarbonitrile, 10-hydroxy-3,6-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 9-Phenanthrenecarbonitrile, 10-hydroxy-3,6-dimethoxy-
- 10-hydroxy-3,6-dimethoxyphenanthrene-9-carbonitrile
- DTXSID20493213
- 62409-69-2
-
- Inchi： 1S/C17H13NO3/c1-20-10-3-5-12-14(7-10)15-8-11(21-2)4-6-13(15)17(19)16(12)9-18/h3-8,19H,1-2H3
- InChI Key： CYFKLCJWTBDCPA-UHFFFAOYSA-N
- SMILES： OC1C(C#N)=C2C=CC(=CC2=C2C=C(C=CC2=1)OC)OC
Computed Properties
- Exact Mass: 279.08959
- Monoisotopic Mass: 279.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 418
- 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: 4.3
- Topological Polar Surface Area: 62.5?2
Experimental Properties
- PSA: 62.48
9-Phenanthrenecarbonitrile, 10-hydroxy-3,6-dimethoxy- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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