Home Carboxys 1-benzyl-1H-indole-7-carboxylic acid

1-benzyl-1H-indole-7-carboxylic acid

CAS No.:
1094217-58-9
Catalog Number:
AG01BJFS
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
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Product Description
Catalog Number:
AG01BJFS
Chemical Name:
1-benzyl-1H-indole-7-carboxylic acid
CAS Number:
1094217-58-9
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
MDL Number:
MFCD11519414
IUPAC Name:
1-benzylindole-7-carboxylic acid
InChI:
InChI=1S/C16H13NO2/c18-16(19)14-8-4-7-13-9-10-17(15(13)14)11-12-5-2-1-3-6-12/h1-10H,11H2,(H,18,19)
InChI Key:
COOUZENIUWFUMU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1n(cc2)Cc1ccccc1
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties