Cas no 21716-59-6 (3-methoxy-1H-Indole-2-carboxylic acid methyl ester)
21716-59-6 structure
Product Name:3-methoxy-1H-Indole-2-carboxylic acid methyl ester
CAS No:21716-59-6
MF:C11H11NO3
MW:205.209943056107
CID:1109110
PubChem ID:12121504
Update Time:2025-04-20
3-methoxy-1H-Indole-2-carboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-methoxy-1H-Indole-2-carboxylic acid methyl ester
- JBGKLXUHWGUPQT-UHFFFAOYSA-N
- methyl 3-methoxy-1H-indole-2-carboxylate
- SCHEMBL3309109
- 21716-59-6
- 2-methoxy carbonyl-3-methoxy indole
- methyl3-methoxy-1H-indole-2-carboxylate
- DB-386357
-
- Inchi： 1S/C11H11NO3/c1-14-10-7-5-3-4-6-8(7)12-9(10)11(13)15-2/h3-6,12H,1-2H3
- InChI Key： JBGKLXUHWGUPQT-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C(=O)OC)NC2C=CC=CC=21
Computed Properties
- Exact Mass: 205.07393
- Monoisotopic Mass: 205.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 244
- 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
- Topological Polar Surface Area: 51.3A^2
- XLogP3: 2.2
Experimental Properties
- PSA: 51.32
3-methoxy-1H-Indole-2-carboxylic acid methyl ester Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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