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

1-phenylbut-3-en-2-one

CAS No.:
37442-55-0
Catalog Number:
AG01AD22
Molecular Formula:
C10H10O
Molecular Weight:
146.1858
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Product Description
Catalog Number:
AG01AD22
Chemical Name:
1-phenylbut-3-en-2-one
CAS Number:
37442-55-0
Molecular Formula:
C10H10O
Molecular Weight:
146.1858
MDL Number:
MFCD02259844
IUPAC Name:
1-phenylbut-3-en-2-one
InChI:
InChI=1S/C10H10O/c1-2-10(11)8-9-6-4-3-5-7-9/h2-7H,1,8H2
InChI Key:
PTUXNCQDACBMKP-UHFFFAOYSA-N
SMILES:
C=CC(=O)Cc1ccccc1
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.073g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.189g/mol
Monoisotopic Mass:
146.073g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties