Cas no 801153-90-2 (9-Methyl-6-nitro-9H-beta-carboline)
801153-90-2 structure
Product Name:9-Methyl-6-nitro-9H-beta-carboline
CAS No:801153-90-2
MF:C12H9N3O2
MW:227.218762159348
CID:712788
Update Time:2023-08-03
9-Methyl-6-nitro-9H-beta-carboline Chemical and Physical Properties
Names and Identifiers
-
- 9H-Pyrido[3,4-b]indole,9-methyl-6-nitro-
- 9H-Pyrido[3,4-b]indole,9-methyl-6-nitro-(8CI)
- 9-Methyl-6-nitro-9H-beta-carboline
- 9-METHYL-6-NITRO-9H-PYRIDO[3,4-B]INDOLE
-
- Inchi： 1S/C12H9N3O2/c1-14-11-3-2-8(15(16)17)6-10(11)9-4-5-13-7-12(9)14/h2-7H,1H3
- InChI Key： YIZTYVBWDQDYAO-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC2=C(C=1)C1C=CN=CC=1N2C)=O
Computed Properties
- Exact Mass: 227.069
- Monoisotopic Mass: 227.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 317
- 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: 63.6
9-Methyl-6-nitro-9H-beta-carboline Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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