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Home > Indoles and Oxindole > 644973-77-3
644973-77-3 | 2-Propen-1-one, 3-(1H-indol-6-yl)-1-(4-pyridinyl)-
CAS No: 644973-77-3 Catalog No: AG00H6UR MDL No:
Product Description
Catalog Number:
AG00H6UR
Chemical Name:
2-Propen-1-one, 3-(1H-indol-6-yl)-1-(4-pyridinyl)-
CAS Number:
644973-77-3
Molecular Formula:
C16H12N2O
Molecular Weight:
248.2793
IUPAC Name:
3-(1H-indol-6-yl)-1-pyridin-4-ylprop-2-en-1-one
InChI:
InChI=1S/C16H12N2O/c19-16(14-5-8-17-9-6-14)4-2-12-1-3-13-7-10-18-15(13)11-12/h1-11,18H
InChI Key:
ZXAKJSMTMDHKGX-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)C=Cc1ccc2c(c1)[nH]cc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.285g/mol
Monoisotopic Mass:
248.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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