sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 1H-Indole-3-acetic acid, 2-carboxy-1-methyl-

1H-Indole-3-acetic acid, 2-carboxy-1-methyl-

CAS No.:
58664-93-0
Catalog Number:
AG01DTT3
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$104
- +
250mg
95%
In Stock USA
United States
$189
- +
1g
95%
In Stock USA
United States
$378
- +
Product Description
Catalog Number:
AG01DTT3
Chemical Name:
1H-Indole-3-acetic acid, 2-carboxy-1-methyl-
CAS Number:
58664-93-0
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
MDL Number:
MFCD00228988
IUPAC Name:
3-(carboxymethyl)-1-methylindole-2-carboxylic acid
InChI:
InChI=1S/C12H11NO4/c1-13-9-5-3-2-4-7(9)8(6-10(14)15)11(13)12(16)17/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
InChI Key:
JOKUEFCTYPOURQ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(C(=O)O)n(c2c1cccc2)C
Properties
Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
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