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Home > Indoles and Oxindole > 827024-92-0
827024-92-0 | 1H-Indole, 4,6-dimethoxy-3-(phenylmethyl)-
CAS No: 827024-92-0 Catalog No: AG004WG3 MDL No:
Product Description
Catalog Number:
AG004WG3
Chemical Name:
1H-Indole, 4,6-dimethoxy-3-(phenylmethyl)-
CAS Number:
827024-92-0
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
IUPAC Name:
3-benzyl-4,6-dimethoxy-1H-indole
InChI:
InChI=1S/C17H17NO2/c1-19-14-9-15-17(16(10-14)20-2)13(11-18-15)8-12-6-4-3-5-7-12/h3-7,9-11,18H,8H2,1-2H3
InChI Key:
AIDUWYXTFHSHCJ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc2c1c(c[nH]2)Cc1ccccc1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.328g/mol
Monoisotopic Mass:
267.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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