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Home > Indoles and Oxindole > 136735-97-2
136735-97-2 | 1H-Indole-5,6-diol, 1,2-dimethyl-
CAS No: 136735-97-2 Catalog No: AG007M9D MDL No:
Product Description
Catalog Number:
AG007M9D
Chemical Name:
1H-Indole-5,6-diol, 1,2-dimethyl-
CAS Number:
136735-97-2
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
1,2-dimethylindole-5,6-diol
InChI:
InChI=1S/C10H11NO2/c1-6-3-7-4-9(12)10(13)5-8(7)11(6)2/h3-5,12-13H,1-2H3
InChI Key:
JBYRAXMQDJLWBC-UHFFFAOYSA-N
SMILES:
Oc1cc2c(cc1O)cc(n2C)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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