Cas no 61838-92-4 (1H-Indole-2-carboxylic acid, 5-methoxy-1,3-dimethyl-, ethyl ester)
61838-92-4 structure
Product Name:1H-Indole-2-carboxylic acid, 5-methoxy-1,3-dimethyl-, ethyl ester
CAS No:61838-92-4
MF:C14H17NO3
MW:247.289684057236
CID:464937
PubChem ID:12294621
Update Time:2025-04-19
1H-Indole-2-carboxylic acid, 5-methoxy-1,3-dimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-2-carboxylic acid, 5-methoxy-1,3-dimethyl-, ethyl ester
- ethyl 5-methoxy-1,3-dimethylindole-2-carboxylate
- 61838-92-4
- DTXSID30485341
-
- Inchi： 1S/C14H17NO3/c1-5-18-14(16)13-9(2)11-8-10(17-4)6-7-12(11)15(13)3/h6-8H,5H2,1-4H3
- InChI Key： VHTLUHRTDCWLKZ-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=C(C)C2C=C(C=CC=2N1C)OC)=O
Computed Properties
- Exact Mass: 247.12091
- Monoisotopic Mass: 247.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 307
- 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: 2.9
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1H-Indole-2-carboxylic acid, 5-methoxy-1,3-dimethyl-, ethyl ester Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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