200,000+ products from a single source!
sales@angenechem.com
81051-14-1 | 2-Propyn-1-one, 3-phenyl-1-(8-quinolinyl)-
CAS No: 81051-14-1 Catalog No: AG00562I MDL No:
Product Description
Catalog Number:
AG00562I
Chemical Name:
2-Propyn-1-one, 3-phenyl-1-(8-quinolinyl)-
CAS Number:
81051-14-1
Molecular Formula:
C18H11NO
Molecular Weight:
257.2860
IUPAC Name:
3-phenyl-1-quinolin-8-ylprop-2-yn-1-one
InChI:
InChI=1S/C18H11NO/c20-17(12-11-14-6-2-1-3-7-14)16-10-4-8-15-9-5-13-19-18(15)16/h1-10,13H
InChI Key:
BSNRCBTXSFPWCL-UHFFFAOYSA-N
SMILES:
O=C(c1cccc2c1nccc2)C#Cc1ccccc1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.292g/mol
Monoisotopic Mass:
257.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.