Cas no 37649-98-2 (2-Anthracenecarbonitrile, 9,10-dihydro-9,10-dioxo-)
37649-98-2 structure
Product Name:2-Anthracenecarbonitrile, 9,10-dihydro-9,10-dioxo-
CAS No:37649-98-2
MF:C15H7NO2
MW:233.221583604813
CID:1485301
PubChem ID:13182761
Update Time:2025-04-21
2-Anthracenecarbonitrile, 9,10-dihydro-9,10-dioxo- Chemical and Physical Properties
Names and Identifiers
-
- 2-Anthracenecarbonitrile, 9,10-dihydro-9,10-dioxo-
- 9,10-dioxo-9,10-dihydroanthracene-2-carbonitrile
- 9,10-dioxo-9,10-dihydro-2-anthracenecarbonitrile
- InChI=1/C15H7NO2/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7
- 37649-98-2
- DTXSID30525397
- C15H7NO2
- 9,10-dioxo-anthracene-2-carbonitrile
-
- Inchi： 1S/C15H7NO2/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7H
- InChI Key： WOUWMLCELPTUSF-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2C(C2C=CC(C#N)=CC=21)=O
Computed Properties
- Exact Mass: 233.04771
- Monoisotopic Mass: 233.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 433
- 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: 3.1
- Topological Polar Surface Area: 57.9?2
Experimental Properties
- PSA: 57.93
2-Anthracenecarbonitrile, 9,10-dihydro-9,10-dioxo- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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