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Home > Indoles and Oxindole > 55895-80-2
55895-80-2 | 1-(5-METHOXY-2-METHYL-1H-INDOL-3-YL)ETHANONE
CAS No: 55895-80-2 Catalog No: AG01EBN1 MDL No:MFCD00582298
Product Description
Catalog Number:
AG01EBN1
Chemical Name:
1-(5-METHOXY-2-METHYL-1H-INDOL-3-YL)ETHANONE
CAS Number:
55895-80-2
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD00582298
IUPAC Name:
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
InChI:
InChI=1S/C12H13NO2/c1-7-12(8(2)14)10-6-9(15-3)4-5-11(10)13-7/h4-6,13H,1-3H3
InChI Key:
PLKHPGZPVMZOQI-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C(=O)C)c([nH]2)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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