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820209-11-8 | 2H-Pyran-2-one, 3,4-dihydro-3,3-dimethyl-4-(1-methylethyl)-6-phenyl-
CAS No: 820209-11-8 Catalog No: AG005E5D MDL No:
Product Description
Catalog Number:
AG005E5D
Chemical Name:
2H-Pyran-2-one, 3,4-dihydro-3,3-dimethyl-4-(1-methylethyl)-6-phenyl-
CAS Number:
820209-11-8
Molecular Formula:
C16H20O2
Molecular Weight:
244.3288
IUPAC Name:
3,3-dimethyl-6-phenyl-4-propan-2-yl-4H-pyran-2-one
InChI:
InChI=1S/C16H20O2/c1-11(2)13-10-14(12-8-6-5-7-9-12)18-15(17)16(13,3)4/h5-11,13H,1-4H3
InChI Key:
WCWZLWFHUDHRIK-UHFFFAOYSA-N
SMILES:
CC(C1C=C(OC(=O)C1(C)C)c1ccccc1)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.146g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.334g/mol
Monoisotopic Mass:
244.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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