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16264-71-4 | 1H-Indole-2-carboxylic acid, 1-hydroxy-
CAS No: 16264-71-4 Catalog No: AG001TAC MDL No:
Product Description
Catalog Number:
AG001TAC
Chemical Name:
1H-Indole-2-carboxylic acid, 1-hydroxy-
CAS Number:
16264-71-4
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
IUPAC Name:
1-hydroxyindole-2-carboxylic acid
InChI:
InChI=1S/C9H7NO3/c11-9(12)8-5-6-3-1-2-4-7(6)10(8)13/h1-5,13H,(H,11,12)
InChI Key:
DPTNMLUPFDKDAJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(n1O)cccc2
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:
1
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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