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Home Carboxys ethyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate

ethyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate

CAS No.:
63746-08-7
Catalog Number:
AG00EU0Q
Molecular Formula:
C19H19NO3
Molecular Weight:
309.3591
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Product Description
Catalog Number:
AG00EU0Q
Chemical Name:
ethyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
CAS Number:
63746-08-7
Molecular Formula:
C19H19NO3
Molecular Weight:
309.3591
MDL Number:
MFCD00397260
IUPAC Name:
ethyl 1-benzyl-5-hydroxy-2-methylindole-3-carboxylate
InChI:
InChI=1S/C19H19NO3/c1-3-23-19(22)18-13(2)20(12-14-7-5-4-6-8-14)17-10-9-15(21)11-16(17)18/h4-11,21H,3,12H2,1-2H3
InChI Key:
DGTIEXDBQRVGSQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)n(c2c1cc(O)cc2)Cc1ccccc1
Properties
Complexity:
407  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.136g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
309.365g/mol
Monoisotopic Mass:
309.136g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties