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27664-11-5 | 2-Propen-1-one, 1-(4-methoxyphenyl)-3-(1-methyl-1H-indol-3-yl)-
CAS No: 27664-11-5 Catalog No: AG002UD9 MDL No:
Product Description
Catalog Number:
AG002UD9
Chemical Name:
2-Propen-1-one, 1-(4-methoxyphenyl)-3-(1-methyl-1H-indol-3-yl)-
CAS Number:
27664-11-5
Molecular Formula:
C19H17NO2
Molecular Weight:
291.3438
IUPAC Name:
1-(4-methoxyphenyl)-3-(1-methylindol-3-yl)prop-2-en-1-one
InChI:
InChI=1S/C19H17NO2/c1-20-13-15(17-5-3-4-6-18(17)20)9-12-19(21)14-7-10-16(22-2)11-8-14/h3-13H,1-2H3
InChI Key:
SFBMORDUSNFOIP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C=Cc1cn(c2c1cccc2)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.35g/mol
Monoisotopic Mass:
291.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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