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89363-65-5 | 4H-Pyran-4-one, tetrahydro-2-methoxy-6-phenyl-, trans-
CAS No: 89363-65-5 Catalog No: AG003XPP MDL No:
Product Description
Catalog Number:
AG003XPP
Chemical Name:
4H-Pyran-4-one, tetrahydro-2-methoxy-6-phenyl-, trans-
CAS Number:
89363-65-5
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
2-methoxy-6-phenyloxan-4-one
InChI:
InChI=1S/C12H14O3/c1-14-12-8-10(13)7-11(15-12)9-5-3-2-4-6-9/h2-6,11-12H,7-8H2,1H3
InChI Key:
FYRNYBSGXQCYHG-UHFFFAOYSA-N
SMILES:
CO[C@@H]1O[C@H](CC(=O)C1)c1ccccc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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