Cas no 167478-78-6 (Methyl 1,4-dimethyl-1H-indole-2-carboxylate)
167478-78-6 structure
Product Name:Methyl 1,4-dimethyl-1H-indole-2-carboxylate
CAS No:167478-78-6
MF:C12H13NO2
MW:203.237123250961
CID:1084707
PubChem ID:4777732
Update Time:2025-04-20
Methyl 1,4-dimethyl-1H-indole-2-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Methyl 1,4-dimethyl-1H-indole-2-carboxylate
- 167478-78-6
- SCHEMBL7877970
- AKOS004119698
-
- Inchi： 1S/C12H13NO2/c1-8-5-4-6-10-9(8)7-11(13(10)2)12(14)15-3/h4-7H,1-3H3
- InChI Key： DWEJZKONIFQYPG-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC2C(C)=CC=CC=2N1C)=O
Computed Properties
- Exact Mass: 203.094628657g/mol
- Monoisotopic Mass: 203.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 254
- 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: 2.6
- Topological Polar Surface Area: 31.2?2
Methyl 1,4-dimethyl-1H-indole-2-carboxylate Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
167478-78-6 (Methyl 1,4-dimethyl-1H-indole-2-carboxylate) Related Products
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