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85949-82-2 | 1H-Indole-2-carboxylic acid, 3-hydroxy-1-methyl-
CAS No: 85949-82-2 Catalog No: AG004QLI MDL No:
Product Description
Catalog Number:
AG004QLI
Chemical Name:
1H-Indole-2-carboxylic acid, 3-hydroxy-1-methyl-
CAS Number:
85949-82-2
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
IUPAC Name:
3-hydroxy-1-methylindole-2-carboxylic acid
InChI:
InChI=1S/C10H9NO3/c1-11-7-5-3-2-4-6(7)9(12)8(11)10(13)14/h2-5,12H,1H3,(H,13,14)
InChI Key:
YPWHLIAQBWWRBW-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(O)c2c(n1C)cccc2
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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