Home Carboxys 5-Amino-1H-indole-2-carboxylic acid

5-Amino-1H-indole-2-carboxylic acid

CAS No.:
152213-40-6
Catalog Number:
AG0038A6
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
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Product Description
Catalog Number:
AG0038A6
Chemical Name:
5-Amino-1H-indole-2-carboxylic acid
CAS Number:
152213-40-6
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD08458972
IUPAC Name:
5-amino-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,10H2,(H,12,13)
InChI Key:
NKFIBMOQAPEKNZ-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)cc([nH]2)C(=O)O
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties