Cas no 1346764-74-6 (bruceolline H)
bruceolline H structure
Product Name:bruceolline H
CAS No:1346764-74-6
MF:C13H11NO3
MW:229.231343507767
CID:2053453
PubChem ID:56833856
Update Time:2025-04-21
bruceolline H Chemical and Physical Properties
Names and Identifiers
-
- bruceolline H
- 3,4-Dihydro-6-hydroxy-3,3-dimethylcyclopent[b]indole-1,2-dione
- 6-hydroxy-3,3-dimethyl-3,4-dihydrocyclopenta[b]indole-1,2-dione
- Q27137274
- 1346764-74-6
- CHEMBL1922989
- DTXSID301179235
- CHEBI:68919
-
- Inchi： 1S/C13H11NO3/c1-13(2)11-9(10(16)12(13)17)7-4-3-6(15)5-8(7)14-11/h3-5,14-15H,1-2H3
- InChI Key： JGPRUCFGUSXLES-UHFFFAOYSA-N
- SMILES： O=C1C(C2C3C=CC(=CC=3NC=2C1(C)C)O)=O
Computed Properties
- Exact Mass: 229.07389321g/mol
- Monoisotopic Mass: 229.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 390
- 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: 1.7
- Topological Polar Surface Area: 70.2?2
bruceolline H Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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