Cas no 77638-65-4 ( )
structure
Product Name:
CAS No:77638-65-4
MF:C17H14N2O
MW:262.305863857269
CID:983664
PubChem ID:335937
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 5-methoxy-11-methyl-6H-pyrido[4,3-b]carbazole
- 5-methoxyellipticine
- AC1L7IJP
- NSC348246
- NSC-348246
- DTXSID60319620
- 77638-65-4
-
-
- Inchi： 1S/C17H14N2O/c1-10-13-9-18-8-7-11(13)17(20-2)16-15(10)12-5-3-4-6-14(12)19-16/h3-9,19H,1-2H3
- InChI Key： LLGFMXSAUMKRHW-UHFFFAOYSA-N
- SMILES： O(C)C1=C2C=CN=CC2=C(C)C2C3C=CC=CC=3NC=21
Computed Properties
- Exact Mass: 262.11072
- Monoisotopic Mass: 262.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 361
- 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: 4.4
- Topological Polar Surface Area: 37.9?2
Experimental Properties
- PSA: 37.91
- LogP: 4.18630
Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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