Cas no 1215385-15-1 (7-formyl-1-methyl-1H-Indole-2-carboxylic acid)
1215385-15-1 structure
Product Name:7-formyl-1-methyl-1H-Indole-2-carboxylic acid
CAS No:1215385-15-1
MF:C11H9NO3
MW:203.194062948227
CID:1102027
PubChem ID:58493932
Update Time:2025-04-20
7-formyl-1-methyl-1H-Indole-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 7-formyl-1-methyl-1H-Indole-2-carboxylic acid
- SCHEMBL689571
- QPFIOQKEZAVLAD-UHFFFAOYSA-N
- 1215385-15-1
- DB-208028
-
- Inchi： 1S/C11H9NO3/c1-12-9(11(14)15)5-7-3-2-4-8(6-13)10(7)12/h2-6H,1H3,(H,14,15)
- InChI Key： QPFIOQKEZAVLAD-UHFFFAOYSA-N
- SMILES： OC(C1=CC2C=CC=C(C=O)C=2N1C)=O
Computed Properties
- Exact Mass: 203.058243149g/mol
- Monoisotopic Mass: 203.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 279
- 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: 1.5
- Topological Polar Surface Area: 59.3?2
7-formyl-1-methyl-1H-Indole-2-carboxylic acid Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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