Home Other Building Blocks 1-[4-(2-PHENYLETH-1-YNYL)PHENYL]ETHAN-1-ONE

1-[4-(2-PHENYLETH-1-YNYL)PHENYL]ETHAN-1-ONE

CAS No.:
1942-31-0
Catalog Number:
AG00ALWR
Molecular Formula:
C16H12O
Molecular Weight:
220.2659
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Product Description
Catalog Number:
AG00ALWR
Chemical Name:
1-[4-(2-PHENYLETH-1-YNYL)PHENYL]ETHAN-1-ONE
CAS Number:
1942-31-0
Molecular Formula:
C16H12O
Molecular Weight:
220.2659
MDL Number:
MFCD00219774
IUPAC Name:
1-[4-(2-phenylethynyl)phenyl]ethanone
InChI:
InChI=1S/C16H12O/c1-13(17)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,1H3
InChI Key:
QCYZMMVPXNWSJK-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)C#Cc1ccccc1
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.089g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.271g/mol
Monoisotopic Mass:
220.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties