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89204-53-5 | 4H-Pyran-4-one, 2,2-diethoxy-2,3-dihydro-6-methyl-3-phenyl-
CAS No: 89204-53-5 Catalog No: AG0045NQ MDL No:
Product Description
Catalog Number:
AG0045NQ
Chemical Name:
4H-Pyran-4-one, 2,2-diethoxy-2,3-dihydro-6-methyl-3-phenyl-
CAS Number:
89204-53-5
Molecular Formula:
C16H20O4
Molecular Weight:
276.3276
IUPAC Name:
2,2-diethoxy-6-methyl-3-phenyl-3H-pyran-4-one
InChI:
InChI=1S/C16H20O4/c1-4-18-16(19-5-2)15(13-9-7-6-8-10-13)14(17)11-12(3)20-16/h6-11,15H,4-5H2,1-3H3
InChI Key:
SAJIUCUMNZWFHI-UHFFFAOYSA-N
SMILES:
CCOC1(OCC)OC(=CC(=O)C1c1ccccc1)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.332g/mol
Monoisotopic Mass:
276.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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