Cas no 105529-94-0 (8-methoxy-9H-Pyrido[2,3-b]indole)
![8-methoxy-9H-Pyrido[2,3-b]indole structure](https://ossimg.kuujia.com/scimg/106000/105529-94-0x500.png)
105529-94-0 structure
Product Name:8-methoxy-9H-Pyrido[2,3-b]indole
CAS No:105529-94-0
MF:C12H10N2O
MW:198.22060251236
CID:1097605
PubChem ID:13576441
Update Time:2025-04-20
8-methoxy-9H-Pyrido[2,3-b]indole Chemical and Physical Properties
Names and Identifiers
-
- 8-methoxy-9H-Pyrido[2,3-b]indole
- HDQXNSNMBZJQPB-UHFFFAOYSA-N
- SCHEMBL4422523
- 105529-94-0
- DTXSID80544215
-
- Inchi： 1S/C12H10N2O/c1-15-10-6-2-4-8-9-5-3-7-13-12(9)14-11(8)10/h2-7H,1H3,(H,13,14)
- InChI Key： HDQXNSNMBZJQPB-UHFFFAOYSA-N
- SMILES： O(C)C1=CC=CC2C3=CC=CN=C3NC=21
Computed Properties
- Exact Mass: 198.0794
- Monoisotopic Mass: 198.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 234
- 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: 2.6
- Topological Polar Surface Area: 37.9?2
Experimental Properties
- PSA: 33.62
8-methoxy-9H-Pyrido[2,3-b]indole 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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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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