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20538-12-9

20538-12-9 | 1H-Indole-2-carboxylic acid, 7-methoxy-, ethyl ester

CAS No: 20538-12-9 Catalog No: AG002A25 MDL No:

Product Description

Catalog Number:
AG002A25
Chemical Name:
1H-Indole-2-carboxylic acid, 7-methoxy-, ethyl ester
CAS Number:
20538-12-9
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
ethyl 7-methoxy-1H-indole-2-carboxylate
InChI:
InChI=1S/C12H13NO3/c1-3-16-12(14)9-7-8-5-4-6-10(15-2)11(8)13-9/h4-7,13H,3H2,1-2H3
InChI Key:
BRDVNJZQPSSLMK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)c(OC)ccc2

Properties

Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Literature

Title Journal
Peculiarity of methoxy group-substituted phenylhydrazones in Fischer indole synthesis. Proceedings of the Japan Academy. Series B, Physical and biological sciences 20120111

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