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Home Carboxys 1-Benzylindole-3-carboxylic acid

1-Benzylindole-3-carboxylic acid

CAS No.:
27018-76-4
Catalog Number:
AG003E0C
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$100
- +
5g
98%(HPLC)
In Stock USA
United States
$314
- +
Product Description
Catalog Number:
AG003E0C
Chemical Name:
1-Benzylindole-3-carboxylic acid
CAS Number:
27018-76-4
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
MDL Number:
MFCD00057094
IUPAC Name:
1-benzylindole-3-carboxylic acid
InChI:
InChI=1S/C16H13NO2/c18-16(19)14-11-17(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,11H,10H2,(H,18,19)
InChI Key:
LVYDDRHDOKXFMW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(c2c1cccc2)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  
Literature
Title Journal
Analogues and derivatives of oncrasin-1, a novel inhibitor of the C-terminal domain of RNA polymerase II and their antitumor activities. Journal of medicinal chemistry 20110428
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties