Home Carboxys 3-(carboxymethyl)-1H-indole-2-carboxylic acid

3-(carboxymethyl)-1H-indole-2-carboxylic acid

CAS No.:
31529-27-8
Catalog Number:
AG01BH80
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
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Product Description
Catalog Number:
AG01BH80
Chemical Name:
3-(carboxymethyl)-1H-indole-2-carboxylic acid
CAS Number:
31529-27-8
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD00897387
IUPAC Name:
3-(carboxymethyl)-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C11H9NO4/c13-9(14)5-7-6-3-1-2-4-8(6)12-10(7)11(15)16/h1-4,12H,5H2,(H,13,14)(H,15,16)
InChI Key:
CRMJDDJAUJZUDJ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c([nH]c2c1cccc2)C(=O)O
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties