Home Other Building Blocks 1-PHENYL-4-PENTYN-1-ONE

1-PHENYL-4-PENTYN-1-ONE

CAS No.:
18476-65-8
Catalog Number:
AG01DZ4F
Molecular Formula:
C11H10O
Molecular Weight:
158.1965
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Product Description
Catalog Number:
AG01DZ4F
Chemical Name:
1-PHENYL-4-PENTYN-1-ONE
CAS Number:
18476-65-8
Molecular Formula:
C11H10O
Molecular Weight:
158.1965
MDL Number:
MFCD11655130
IUPAC Name:
1-phenylpent-4-yn-1-one
InChI:
InChI=1S/C11H10O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h1,4-8H,3,9H2
InChI Key:
FATLFAJLNPTNIM-UHFFFAOYSA-N
SMILES:
C#CCCC(=O)c1ccccc1
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.073g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.2g/mol
Monoisotopic Mass:
158.073g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties