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15849-56-6 | 2-Propen-1-one, 1-(1H-indol-3-yl)-3-(4-methylphenyl)-, (2E)-
CAS No: 15849-56-6 Catalog No: AG001Q89 MDL No:
Product Description
Catalog Number:
AG001Q89
Chemical Name:
2-Propen-1-one, 1-(1H-indol-3-yl)-3-(4-methylphenyl)-, (2E)-
CAS Number:
15849-56-6
Molecular Formula:
C18H15NO
Molecular Weight:
261.3178
IUPAC Name:
1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C18H15NO/c1-13-6-8-14(9-7-13)10-11-18(20)16-12-19-17-5-3-2-4-15(16)17/h2-12,19H,1H3
InChI Key:
BCODXIOICRBUFT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)/C=C/C(=O)c1c[nH]c2c1cccc2
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.324g/mol
Monoisotopic Mass:
261.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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