Home Other Building Blocks 1-phenylbut-3-yn-2-one

1-phenylbut-3-yn-2-one

CAS No.:
31739-46-5
Catalog Number:
AG01A23H
Molecular Formula:
C10H8O
Molecular Weight:
144.1699
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Product Description
Catalog Number:
AG01A23H
Chemical Name:
1-phenylbut-3-yn-2-one
CAS Number:
31739-46-5
Molecular Formula:
C10H8O
Molecular Weight:
144.1699
MDL Number:
MFCD21262944
IUPAC Name:
1-phenylbut-3-yn-2-one
InChI:
InChI=1S/C10H8O/c1-2-10(11)8-9-6-4-3-5-7-9/h1,3-7H,8H2
InChI Key:
WUZGMAXWGIRPRC-UHFFFAOYSA-N
SMILES:
C#CC(=O)Cc1ccccc1
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.173g/mol
Monoisotopic Mass:
144.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties