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647862-35-9 | 1,4-Benzenediol, 2,5-di-1H-indol-3-yl-
CAS No: 647862-35-9 Catalog No: AG00H691 MDL No:
Product Description
Catalog Number:
AG00H691
Chemical Name:
1,4-Benzenediol, 2,5-di-1H-indol-3-yl-
CAS Number:
647862-35-9
Molecular Formula:
C22H16N2O2
Molecular Weight:
340.3746
IUPAC Name:
2,5-bis(1H-indol-3-yl)benzene-1,4-diol
InChI:
InChI=1S/C22H16N2O2/c25-21-10-16(18-12-24-20-8-4-2-6-14(18)20)22(26)9-15(21)17-11-23-19-7-3-1-5-13(17)19/h1-12,23-26H
InChI Key:
UMLBZPOGGDYIJK-UHFFFAOYSA-N
SMILES:
Oc1cc(c(cc1c1c[nH]c2c1cccc2)O)c1c[nH]c2c1cccc2
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.121g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
340.382g/mol
Monoisotopic Mass:
340.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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