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Home > Indoles and Oxindole > 102236-74-8
102236-74-8 | 1H-Indole-5,6-diol, 1-ethyl-
CAS No: 102236-74-8 Catalog No: AG000703 MDL No:
Product Description
Catalog Number:
AG000703
Chemical Name:
1H-Indole-5,6-diol, 1-ethyl-
CAS Number:
102236-74-8
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
1-ethylindole-5,6-diol
InChI:
InChI=1S/C10H11NO2/c1-2-11-4-3-7-5-9(12)10(13)6-8(7)11/h3-6,12-13H,2H2,1H3
InChI Key:
IWQLRGUKRBIQOV-UHFFFAOYSA-N
SMILES:
CCn1ccc2c1cc(O)c(c2)O
Properties
Complexity:
186
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:
1
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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