Cas no 61155-69-9 (1H-Indole-1-acetic acid, ethyl ester)
61155-69-9 structure
Product Name:1H-Indole-1-acetic acid, ethyl ester
CAS No:61155-69-9
MF:C12H13NO2
MW:203.237123250961
CID:490236
PubChem ID:967684
Update Time:2025-04-19
1H-Indole-1-acetic acid, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-1-acetic acid, ethyl ester
- ethyl 2-indol-1-ylacetate
- DKMSTBXXTNPNPU-UHFFFAOYSA-N
- AKOS008967948
- SCHEMBL3864912
- DTXSID20359522
- indole-N-acetic acid, ethyl ester
- indole-N-acetic Acid Ethyl Ester
- ethyl 2-(1h-indol-1-yl)acetate
- 61155-69-9
- indol-1-yl-acetic acid ethyl ester
-
- MDL： MFCD05813687
- Inchi： 1S/C12H13NO2/c1-2-15-12(14)9-13-8-7-10-5-3-4-6-11(10)13/h3-8H,2,9H2,1H3
- InChI Key： DKMSTBXXTNPNPU-UHFFFAOYSA-N
- SMILES： O(CC)C(CN1C=CC2C=CC=CC1=2)=O
Computed Properties
- Exact Mass: 203.09469
- Monoisotopic Mass: 203.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 230
- 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: 2.4
- Topological Polar Surface Area: 31.2?2
Experimental Properties
- PSA: 31.23
1H-Indole-1-acetic acid, ethyl ester Related Literature
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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
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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