Cas no 796870-93-4 (1H-Indole-2-carboxylicacid,5-ethyl-,methylester(9CI))
796870-93-4 structure
Product Name:1H-Indole-2-carboxylicacid,5-ethyl-,methylester(9CI)
CAS No:796870-93-4
MF:C12H13NO2
MW:203.237123250961
CID:1017459
PubChem ID:45094675
Update Time:2025-04-20
1H-Indole-2-carboxylicacid,5-ethyl-,methylester(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-2-carboxylicacid,5-ethyl-,methylester(9CI)
- 3-(benzyloxy)-2-oxopropyl dibenzylphosphate
- methyl 5-ethyl-1H-indole-2-carboxylate
- 796870-93-4
- SCHEMBL6517075
- Methyl 5-ethylindole-2-carboxylate
- methyl5-ethyl-1H-indole-2-carboxylate
- PJFWRKPQGRNTNF-UHFFFAOYSA-N
- DB-101374
-
- Inchi： 1S/C12H13NO2/c1-3-8-4-5-10-9(6-8)7-11(13-10)12(14)15-2/h4-7,13H,3H2,1-2H3
- InChI Key： PJFWRKPQGRNTNF-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC2C=C(C=CC=2N1)CC)=O
Computed Properties
- Exact Mass: 203.09500
- Monoisotopic Mass: 203.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 242
- 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: 3.2
- Topological Polar Surface Area: 42.1?2
Experimental Properties
- PSA: 42.09000
- LogP: 2.51690
1H-Indole-2-carboxylicacid,5-ethyl-,methylester(9CI) Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
796870-93-4 (1H-Indole-2-carboxylicacid,5-ethyl-,methylester(9CI)) Related Products
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