Home Other Building Blocks 4-Hexyn-3-one, 1-phenyl-

4-Hexyn-3-one, 1-phenyl-

CAS No.:
122124-41-8
Catalog Number:
AG0016T0
Molecular Formula:
C12H12O
Molecular Weight:
172.2231
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Product Description
Catalog Number:
AG0016T0
Chemical Name:
4-Hexyn-3-one, 1-phenyl-
CAS Number:
122124-41-8
Molecular Formula:
C12H12O
Molecular Weight:
172.2231
MDL Number:
MFCD12024637
IUPAC Name:
1-phenylhex-4-yn-3-one
InChI:
InChI=1S/C12H12O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h3-5,7-8H,9-10H2,1H3
InChI Key:
XRHXLHINNLXPNU-UHFFFAOYSA-N
SMILES:
CC#CC(=O)CCc1ccccc1
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.089g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.227g/mol
Monoisotopic Mass:
172.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties