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Home > Indoles and Oxindole > 6831-41-0
6831-41-0 | 1-(1H-Indol-3-yl)-2-(3-methoxyphenyl)ethanone
CAS No: 6831-41-0 Catalog No: AG0064VV MDL No:MFCD13661737
Product Description
Catalog Number:
AG0064VV
Chemical Name:
1-(1H-Indol-3-yl)-2-(3-methoxyphenyl)ethanone
CAS Number:
6831-41-0
Molecular Formula:
C17H15NO2
Molecular Weight:
265.3065
MDL Number:
MFCD13661737
IUPAC Name:
1-(1H-indol-3-yl)-2-(3-methoxyphenyl)ethanone
InChI:
InChI=1S/C17H15NO2/c1-20-13-6-4-5-12(9-13)10-17(19)15-11-18-16-8-3-2-7-14(15)16/h2-9,11,18H,10H2,1H3
InChI Key:
ARFFOHOHHLLSDF-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CC(=O)c1c[nH]c2c1cccc2
NSC Number:
105338
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.312g/mol
Monoisotopic Mass:
265.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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