Cas no 691362-81-9 (1H-INDOLE-2-CARBOXYLIC ACID,3-FORMYL-4-METHYL-,METHYL ESTER)
691362-81-9 structure
Product Name:1H-INDOLE-2-CARBOXYLIC ACID,3-FORMYL-4-METHYL-,METHYL ESTER
CAS No:691362-81-9
MF:C12H11NO3
MW:217.220643281937
CID:1007013
PubChem ID:76846589
Update Time:2025-04-20
1H-INDOLE-2-CARBOXYLIC ACID,3-FORMYL-4-METHYL-,METHYL ESTER Chemical and Physical Properties
Names and Identifiers
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- 1H-INDOLE-2-CARBOXYLIC ACID,3-FORMYL-4-METHYL-,METHYL ESTER
- methyl 3-formyl-4-methylindole-2-carboxylate
- 691362-81-9
-
- MDL： MFCD11617219
- Inchi： 1S/C12H11NO3/c1-7-4-3-5-9-10(7)8(6-14)11(13-9)12(15)16-2/h3-6,13H,1-2H3
- InChI Key： IQPICKZXNDLNFO-UHFFFAOYSA-N
- SMILES： O(C)C(C1=C(C=O)C2C(C)=CC=CC=2N1)=O
Computed Properties
- Exact Mass: 217.07389321g/mol
- Monoisotopic Mass: 217.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 292
- 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: 2.1
- Topological Polar Surface Area: 59.2?2
1H-INDOLE-2-CARBOXYLIC ACID,3-FORMYL-4-METHYL-,METHYL ESTER Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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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
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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