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125502-72-9

125502-72-9 | 1H-Indole-1-carboxylic acid, 5-hydroxy-

CAS No: 125502-72-9 Catalog No: AG000NR9 MDL No:

Product Description

Catalog Number:
AG000NR9
Chemical Name:
1H-Indole-1-carboxylic acid, 5-hydroxy-
CAS Number:
125502-72-9
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
IUPAC Name:
5-hydroxyindole-1-carboxylic acid
InChI:
InChI=1S/C9H7NO3/c11-7-1-2-8-6(5-7)3-4-10(8)9(12)13/h1-5,11H,(H,12,13)
InChI Key:
SXAIULUWOVNPCS-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)ccn2C(=O)O

Properties

Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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