Cas no 87226-94-6 (9-Phenanthrenecarbonitrile, 2,3,6,7-tetramethoxy-)
87226-94-6 structure
Product Name:9-Phenanthrenecarbonitrile, 2,3,6,7-tetramethoxy-
CAS No:87226-94-6
MF:C19H17NO4
MW:323.342585325241
CID:658867
PubChem ID:12077592
Update Time:2025-04-19
9-Phenanthrenecarbonitrile, 2,3,6,7-tetramethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 9-Phenanthrenecarbonitrile, 2,3,6,7-tetramethoxy-
- 2,3,6,7-tetramethoxyphenanthrene-9-carbonitrile
- 87226-94-6
- DTXSID00477132
- NJFIXDXERRBMND-UHFFFAOYSA-N
- 2,3,6,7-tetramethoxy-phenanthrene-9-carbonitrile
- CHEMBL3800235
- SCHEMBL6431155
-
- Inchi： 1S/C19H17NO4/c1-21-16-6-11-5-12(10-20)14-8-18(23-3)19(24-4)9-15(14)13(11)7-17(16)22-2/h5-9H,1-4H3
- InChI Key： NJFIXDXERRBMND-UHFFFAOYSA-N
- SMILES： O(C)C1C(=CC2=C(C#N)C=C3C=C(C(=CC3=C2C=1)OC)OC)OC
Computed Properties
- Exact Mass: 323.11575802g/mol
- Monoisotopic Mass: 323.11575802g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 475
- 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
- Topological Polar Surface Area: 60.7?2
9-Phenanthrenecarbonitrile, 2,3,6,7-tetramethoxy- Related Literature
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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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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Jason Wan Lab Chip, 2020,20, 4528-4538
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