Cas no 36779-17-6 (Methyl 2-phenyl-1h-indole-3-carboxylate)
36779-17-6 structure
Product Name:Methyl 2-phenyl-1h-indole-3-carboxylate
CAS No:36779-17-6
MF:C16H13NO2
MW:251.279924154282
CID:1479345
PubChem ID:11379731
Update Time:2025-04-21
Methyl 2-phenyl-1h-indole-3-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 2-phenyl-1H-indole-3-carboxylate
- SureCN5438097
- AG-F-28502
- CTK1B6093
- 1H-Indole-3-carboxylic acid, 2-phenyl-, methyl ester
- AGN-PC-007XOB
- 2-phenyl-indole-3-carboxylic acid methyl ester
- methyl 2-phenylindole-3-carboxylate
- 3-methoxycarbonyl-2-phenylindole
- HGITVIYWAGXDTD-UHFFFAOYSA-N
- SCHEMBL5438097
- DA-06389
- 36779-17-6
- DTXSID20464105
- Methyl 2-phenyl-1h-indole-3-carboxylate
-
- Inchi： 1S/C16H13NO2/c1-19-16(18)14-12-9-5-6-10-13(12)17-15(14)11-7-3-2-4-8-11/h2-10,17H,1H3
- InChI Key： HGITVIYWAGXDTD-UHFFFAOYSA-N
- SMILES： O(C)C(C1C2C=CC=CC=2NC=1C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 251.09469
- Monoisotopic Mass: 251.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 325
- 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: 3.6
- Topological Polar Surface Area: 42.1?2
Experimental Properties
- PSA: 42.09
Methyl 2-phenyl-1h-indole-3-carboxylate Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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