Home Other Building Blocks 2-PHENYLOXETAN-3-ONE

2-PHENYLOXETAN-3-ONE

CAS No.:
87385-78-2
Catalog Number:
AG01BIC7
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
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Product Description
Catalog Number:
AG01BIC7
Chemical Name:
2-PHENYLOXETAN-3-ONE
CAS Number:
87385-78-2
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
MDL Number:
MFCD24696663
IUPAC Name:
2-phenyloxetan-3-one
InChI:
InChI=1S/C9H8O2/c10-8-6-11-9(8)7-4-2-1-3-5-7/h1-5,9H,6H2
InChI Key:
YUZXDOLBTJJCDY-UHFFFAOYSA-N
SMILES:
O=C1COC1c1ccccc1
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.052g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.161g/mol
Monoisotopic Mass:
148.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties