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147688-62-8 | 4H-Pyran-4-one, tetrahydro-2-phenyl-
CAS No: 147688-62-8 Catalog No: AG001F38 MDL No:MFCD11112124
Product Description
Catalog Number:
AG001F38
Chemical Name:
4H-Pyran-4-one, tetrahydro-2-phenyl-
CAS Number:
147688-62-8
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD11112124
IUPAC Name:
2-phenyloxan-4-one
InChI:
InChI=1S/C11H12O2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChI Key:
WDYWHODSDKVYAL-UHFFFAOYSA-N
SMILES:
O=C1CCOC(C1)c1ccccc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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