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Home > Indoles and Oxindole > 90834-16-5
90834-16-5 | 1H-Indole, 3,5-dimethyl-2-(2,4,5-trimethoxyphenyl)-
CAS No: 90834-16-5 Catalog No: AG006LUB MDL No:
Product Description
Catalog Number:
AG006LUB
Chemical Name:
1H-Indole, 3,5-dimethyl-2-(2,4,5-trimethoxyphenyl)-
CAS Number:
90834-16-5
Molecular Formula:
C19H21NO3
Molecular Weight:
311.3749
IUPAC Name:
3,5-dimethyl-2-(2,4,5-trimethoxyphenyl)-1H-indole
InChI:
InChI=1S/C19H21NO3/c1-11-6-7-15-13(8-11)12(2)19(20-15)14-9-17(22-4)18(23-5)10-16(14)21-3/h6-10,20H,1-5H3
InChI Key:
CSEWXYPZGAPGDK-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(cc1c1[nH]c2c(c1C)cc(cc2)C)OC
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.381g/mol
Monoisotopic Mass:
311.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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