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Home > Indoles and Oxindole > 827024-97-5
827024-97-5 | 1H-Indole, 1-acetyl-3-(4-hydroxyphenyl)-4,6-dimethoxy-
CAS No: 827024-97-5 Catalog No: AG005AZZ MDL No:
Product Description
Catalog Number:
AG005AZZ
Chemical Name:
1H-Indole, 1-acetyl-3-(4-hydroxyphenyl)-4,6-dimethoxy-
CAS Number:
827024-97-5
Molecular Formula:
C18H17NO4
Molecular Weight:
311.3319
IUPAC Name:
1-[3-(4-hydroxyphenyl)-4,6-dimethoxyindol-1-yl]ethanone
InChI:
InChI=1S/C18H17NO4/c1-11(20)19-10-15(12-4-6-13(21)7-5-12)18-16(19)8-14(22-2)9-17(18)23-3/h4-10,21H,1-3H3
InChI Key:
HPCASHGQFDOZHE-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc2c1c(cn2C(=O)C)c1ccc(cc1)O
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.337g/mol
Monoisotopic Mass:
311.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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