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88222-62-2 | 2H-Pyran-3(6H)-one, 6-(2-oxo-2-phenylethyl)-
CAS No: 88222-62-2 Catalog No: AG004BFS MDL No:
Product Description
Catalog Number:
AG004BFS
Chemical Name:
2H-Pyran-3(6H)-one, 6-(2-oxo-2-phenylethyl)-
CAS Number:
88222-62-2
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
IUPAC Name:
2-phenacyl-2H-pyran-5-one
InChI:
InChI=1S/C13H12O3/c14-11-6-7-12(16-9-11)8-13(15)10-4-2-1-3-5-10/h1-7,12H,8-9H2
InChI Key:
UWBONLSMRMAHFV-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC1OCC(=O)C=C1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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