Home Carboxys 1H-Indole-1-acetic acid, 2-carboxy-

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

CAS No.:
126718-55-6
Catalog Number:
AG000T4W
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
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Product Description
Catalog Number:
AG000T4W
Chemical Name:
1H-Indole-1-acetic acid, 2-carboxy-
CAS Number:
126718-55-6
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD03764070
IUPAC Name:
1-(carboxymethyl)indole-2-carboxylic acid
InChI:
InChI=1S/C11H9NO4/c13-10(14)6-12-8-4-2-1-3-7(8)5-9(12)11(15)16/h1-5H,6H2,(H,13,14)(H,15,16)
InChI Key:
IQFBBTYFQVXXDT-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1c(cc2c1cccc2)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:
2  
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties