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114604-96-5

114604-96-5 | 1H-Indole-1-carboxylic acid, 2-formyl-, 1,1-dimethylethyl ester

CAS No: 114604-96-5 Catalog No: AG000ESG MDL No:

Product Description

Catalog Number:
AG000ESG
Chemical Name:
1H-Indole-1-carboxylic acid, 2-formyl-, 1,1-dimethylethyl ester
CAS Number:
114604-96-5
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
tert-butyl 2-formylindole-1-carboxylate
InChI:
InChI=1S/C14H15NO3/c1-14(2,3)18-13(17)15-11(9-16)8-10-6-4-5-7-12(10)15/h4-9H,1-3H3
InChI Key:
XEAJFHAXTVIMNR-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(n1C(=O)OC(C)(C)C)cccc2

Properties

Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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