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89671-85-2 | Ethanone, 1-(5-methoxy-1H-indol-2-yl)-
CAS No: 89671-85-2 Catalog No: AG0043SL MDL No:
Product Description
Catalog Number:
AG0043SL
Chemical Name:
Ethanone, 1-(5-methoxy-1H-indol-2-yl)-
CAS Number:
89671-85-2
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
1-(5-methoxy-1H-indol-2-yl)ethanone
InChI:
InChI=1S/C11H11NO2/c1-7(13)11-6-8-5-9(14-2)3-4-10(8)12-11/h3-6,12H,1-2H3
InChI Key:
KQNPURWHIHMGEZ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc([nH]2)C(=O)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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