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80641-50-5 | 1,4-Benzenediol, 2-(2-methyl-1H-indol-3-yl)-
CAS No: 80641-50-5 Catalog No: AG0058XF MDL No:
Product Description
Catalog Number:
AG0058XF
Chemical Name:
1,4-Benzenediol, 2-(2-methyl-1H-indol-3-yl)-
CAS Number:
80641-50-5
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
IUPAC Name:
2-(2-methyl-1H-indol-3-yl)benzene-1,4-diol
InChI:
InChI=1S/C15H13NO2/c1-9-15(11-4-2-3-5-13(11)16-9)12-8-10(17)6-7-14(12)18/h2-8,16-18H,1H3
InChI Key:
HPFCKXRSMYDNGH-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)c1c(C)[nH]c2c1cccc2)O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
239.274g/mol
Monoisotopic Mass:
239.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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