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Home > Indoles and Oxindole > 51843-22-2
51843-22-2 | 1-(5-METHOXY-1H-INDOL-3-YL)ETHANONE
CAS No: 51843-22-2 Catalog No: AG00DBNE MDL No:MFCD09038054
Product Description
Catalog Number:
AG00DBNE
Chemical Name:
1-(5-METHOXY-1H-INDOL-3-YL)ETHANONE
CAS Number:
51843-22-2
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD09038054
IUPAC Name:
1-(5-methoxy-1H-indol-3-yl)ethanone
InChI:
InChI=1S/C11H11NO2/c1-7(13)10-6-12-11-4-3-8(14-2)5-9(10)11/h3-6,12H,1-2H3
InChI Key:
LHPUQMRYWUQVNA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(c[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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