Cas no 135299-06-8 (1-Methyl-2,9-dihydro-5H-beta-carbolin-5-one)
135299-06-8 structure
Product Name:1-Methyl-2,9-dihydro-5H-beta-carbolin-5-one
CAS No:135299-06-8
MF:C12H10N2O
MW:198.22060251236
CID:2771323
PubChem ID:71341269
Update Time:2025-04-21
1-Methyl-2,9-dihydro-5H-beta-carbolin-5-one Chemical and Physical Properties
Names and Identifiers
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- DTXSID60768235
- 1-Methyl-2,9-dihydro-5H-beta-carbolin-5-one
- 135299-06-8
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- Inchi： 1S/C12H10N2O/c1-7-12-8(5-6-13-7)11-9(14-12)3-2-4-10(11)15/h2-6,13-14H,1H3
- InChI Key： OACLBVQHEXYYRD-UHFFFAOYSA-N
- SMILES： O=C1C=CC=C2C1=C1C=CNC(C)=C1N2
Computed Properties
- Exact Mass: 198.079312947Da
- Monoisotopic Mass: 198.079312947Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 516
- 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: 1.2
- Topological Polar Surface Area: 41.1?2
1-Methyl-2,9-dihydro-5H-beta-carbolin-5-one Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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