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Home > Indoles and Oxindole > 827317-48-6
827317-48-6 | 1H-Indol-6-ol, 2-(1H-pyrazol-3-yl)-
CAS No: 827317-48-6 Catalog No: AG0058QG MDL No:
Product Description
Catalog Number:
AG0058QG
Chemical Name:
1H-Indol-6-ol, 2-(1H-pyrazol-3-yl)-
CAS Number:
827317-48-6
Molecular Formula:
C11H9N3O
Molecular Weight:
199.2087
IUPAC Name:
2-(1H-pyrazol-5-yl)-1H-indol-6-ol
InChI:
InChI=1S/C11H9N3O/c15-8-2-1-7-5-11(13-10(7)6-8)9-3-4-12-14-9/h1-6,13,15H,(H,12,14)
InChI Key:
QYYWWGUPPCQQLF-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)[nH]c(c2)c1n[nH]cc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
199.213g/mol
Monoisotopic Mass:
199.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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