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Home > Indoles and Oxindole > 1892728-07-2
1892728-07-2 | 5-HYDROXY-3-HYDROXYMETHYLINDOLE
CAS No: 1892728-07-2 Catalog No: AG01BNFK MDL No:MFCD29078969
Product Description
Catalog Number:
AG01BNFK
Chemical Name:
5-HYDROXY-3-HYDROXYMETHYLINDOLE
CAS Number:
1892728-07-2
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD29078969
IUPAC Name:
3-(hydroxymethyl)-1H-indol-5-ol
InChI:
InChI=1S/C9H9NO2/c11-5-6-4-10-9-2-1-7(12)3-8(6)9/h1-4,10-12H,5H2
InChI Key:
CPTZQVICVNOIFL-UHFFFAOYSA-N
SMILES:
OCc1c[nH]c2c1cc(O)cc2
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
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