Cas no 88330-43-2 (1H-Indole-5,6-dicarboxylic acid, 1-methyl-)
88330-43-2 structure
Product Name:1H-Indole-5,6-dicarboxylic acid, 1-methyl-
CAS No:88330-43-2
MF:C11H9NO4
MW:219.193463087082
CID:636969
PubChem ID:10632646
Update Time:2025-04-19
1H-Indole-5,6-dicarboxylic acid, 1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-5,6-dicarboxylic acid, 1-methyl-
- 1-methylindole-5,6-dicarboxylic acid
- 88330-43-2
- 1-Methyl-1H-indole-5,6-dicarboxylic acid
- DTXSID00442769
-
- Inchi： 1S/C11H9NO4/c1-12-3-2-6-4-7(10(13)14)8(11(15)16)5-9(6)12/h2-5H,1H3,(H,13,14)(H,15,16)
- InChI Key： SZGMVGFCVVQIGU-UHFFFAOYSA-N
- SMILES： OC(C1C(C(=O)O)=CC2C=CN(C)C=2C=1)=O
Computed Properties
- Exact Mass: 219.05315777g/mol
- Monoisotopic Mass: 219.05315777g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 317
- 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: 1.1
- Topological Polar Surface Area: 79.5?2
1H-Indole-5,6-dicarboxylic acid, 1-methyl- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
88330-43-2 (1H-Indole-5,6-dicarboxylic acid, 1-methyl-) Related Products
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