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1246668-93-8 | 1H-Indole-5-carboxylic acid, 6-hydroxy-
CAS No: 1246668-93-8 Catalog No: AG000MKH MDL No:
Product Description
Catalog Number:
AG000MKH
Chemical Name:
1H-Indole-5-carboxylic acid, 6-hydroxy-
CAS Number:
1246668-93-8
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
IUPAC Name:
6-hydroxy-1H-indole-5-carboxylic acid
InChI:
InChI=1S/C9H7NO3/c11-8-4-7-5(1-2-10-7)3-6(8)9(12)13/h1-4,10-11H,(H,12,13)
InChI Key:
PYFBJHPTVJIVGI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2cc[nH]c2cc1O
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:
3
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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