Cas no 53918-89-1 (1H-Indole, 7-methoxy-2,3-dimethyl-)
53918-89-1 structure
Product Name:1H-Indole, 7-methoxy-2,3-dimethyl-
CAS No:53918-89-1
MF:C11H13NO
MW:175.227022886276
CID:356063
PubChem ID:600261
Update Time:2025-04-19
1H-Indole, 7-methoxy-2,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole, 7-methoxy-2,3-dimethyl-
- 2,3-Dimethyl-7-methoxy-1H-indole
- 7-methoxy-2,3-dimethyl-1H-indole
- 7-Methoxy-2,3-dimethylindole
- SCHEMBL9452783
- QDRXDIHPWDIKRT-UHFFFAOYSA-N
- 2,3-Dimethyl-1H-indol-7-yl methyl ether #
- Q63398913
- 53918-89-1
- DTXSID70344903
- AKOS014670970
-
- Inchi： 1S/C11H13NO/c1-7-8(2)12-11-9(7)5-4-6-10(11)13-3/h4-6,12H,1-3H3
- InChI Key： QDRXDIHPWDIKRT-UHFFFAOYSA-N
- SMILES： O(C)C1=CC=CC2C(C)=C(C)NC=21
Computed Properties
- Exact Mass: 175.09979
- Monoisotopic Mass: 175.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 183
- 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: 2.8
- Topological Polar Surface Area: 25?2
Experimental Properties
- PSA: 25.02
1H-Indole, 7-methoxy-2,3-dimethyl- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
-
Ke Chen,Shuai Liu,Liang Mei,Feng Jin,Bo Zhang,Fengxiang Ma,Yewei Chen,Hong Deng,Min Guo,Qingxu Yu Analyst, 2020,145, 1524-1530
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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