Cas no 745060-04-2 (1H-Indole-3-acetonitrile,5-methoxy-4-methyl-)
745060-04-2 structure
Product Name:1H-Indole-3-acetonitrile,5-methoxy-4-methyl-
CAS No:745060-04-2
MF:C12H12N2O
MW:200.236482620239
CID:560682
PubChem ID:22018496
Update Time:2025-04-19
1H-Indole-3-acetonitrile,5-methoxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-acetonitrile,5-methoxy-4-methyl-
- 1H-Indole-3-acetonitrile,5-methoxy-4-methyl-(9CI)
- SCHEMBL5680499
- 2-(5-Methoxy-4-methyl-1H-indol-3-yl)acetonitrile
- 745060-04-2
- CSTVPQSLVPIECP-UHFFFAOYSA-N
- (5-methoxy-4-methyl-1H-indol-3-yl)-acetonitrile
-
- Inchi： 1S/C12H12N2O/c1-8-11(15-2)4-3-10-12(8)9(5-6-13)7-14-10/h3-4,7,14H,5H2,1-2H3
- InChI Key： CSTVPQSLVPIECP-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC2=C(C=1C)C(CC#N)=CN2
Computed Properties
- Exact Mass: 200.09500
- Monoisotopic Mass: 200.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 270
- 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: 48.8A^2
- XLogP3: 2
Experimental Properties
- PSA: 48.81000
- LogP: 2.55098
1H-Indole-3-acetonitrile,5-methoxy-4-methyl- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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2. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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