Home Carboxys 4-amino-1H-indole-3-carboxylicacid

4-amino-1H-indole-3-carboxylicacid

CAS No.:
889941-55-3
Catalog Number:
AG00IFJ7
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
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Product Description
Catalog Number:
AG00IFJ7
Chemical Name:
4-amino-1H-indole-3-carboxylicacid
CAS Number:
889941-55-3
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD07776148
IUPAC Name:
4-amino-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c10-6-2-1-3-7-8(6)5(4-11-7)9(12)13/h1-4,11H,10H2,(H,12,13)
InChI Key:
QPDGZZOFNGYZEM-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1c(N)ccc2
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:
0.9  
Properties