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Home > Indoles and Oxindole > 139721-21-4
139721-21-4 | 1H-Indole-5,6-diol, 2,3-dihydro-1-methyl-
CAS No: 139721-21-4 Catalog No: AG001BM6 MDL No:
Product Description
Catalog Number:
AG001BM6
Chemical Name:
1H-Indole-5,6-diol, 2,3-dihydro-1-methyl-
CAS Number:
139721-21-4
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
IUPAC Name:
1-methyl-2,3-dihydroindole-5,6-diol
InChI:
InChI=1S/C9H11NO2/c1-10-3-2-6-4-8(11)9(12)5-7(6)10/h4-5,11-12H,2-3H2,1H3
InChI Key:
OREUKLHWMRALGC-UHFFFAOYSA-N
SMILES:
CN1CCc2c1cc(O)c(c2)O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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