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124578-13-8 | 4H-Pyran-4-one, 2,3-dihydro-2-phenyl-, (2S)-
CAS No: 124578-13-8 Catalog No: AG000MEO MDL No:
Product Description
Catalog Number:
AG000MEO
Chemical Name:
4H-Pyran-4-one, 2,3-dihydro-2-phenyl-, (2S)-
CAS Number:
124578-13-8
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
IUPAC Name:
2-phenyl-2,3-dihydropyran-4-one
InChI:
InChI=1S/C11H10O2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-7,11H,8H2
InChI Key:
QMGYTHOMODNQTR-UHFFFAOYSA-N
SMILES:
O=C1C=CO[C@@H](C1)c1ccccc1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.199g/mol
Monoisotopic Mass:
174.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Experimental and theoretical studies on the hydrogen-bond-promoted enantioselective hetero-Diels-Alder reaction of Danishefsky's diene with benzaldehyde. | The Journal of organic chemistry 20060331 |
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