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Home > Indoles and Oxindole > 1891097-96-3
1891097-96-3 | 2-(hydroxymethyl)-1H-indol-6-ol
CAS No: 1891097-96-3 Catalog No: AG01CA8F MDL No:MFCD31629012
Product Description
Catalog Number:
AG01CA8F
Chemical Name:
2-(hydroxymethyl)-1H-indol-6-ol
CAS Number:
1891097-96-3
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD31629012
IUPAC Name:
2-(hydroxymethyl)-1H-indol-6-ol
InChI:
InChI=1S/C9H9NO2/c11-5-7-3-6-1-2-8(12)4-9(6)10-7/h1-4,10-12H,5H2
InChI Key:
IKABJVAXPXIDGN-UHFFFAOYSA-N
SMILES:
OCc1cc2c([nH]1)cc(cc2)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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