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136801-74-6 | 4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-(2-oxo-2-phenylethyl)-
CAS No: 136801-74-6 Catalog No: AG0012EF MDL No:
Product Description
Catalog Number:
AG0012EF
Chemical Name:
4H-1,3-Dioxin-4-one, 2,2-dimethyl-6-(2-oxo-2-phenylethyl)-
CAS Number:
136801-74-6
Molecular Formula:
C14H14O4
Molecular Weight:
246.2586
IUPAC Name:
2,2-dimethyl-6-phenacyl-1,3-dioxin-4-one
InChI:
InChI=1S/C14H14O4/c1-14(2)17-11(9-13(16)18-14)8-12(15)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI Key:
YUPVSHRSWBHPBP-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC1=CC(=O)OC(O1)(C)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.262g/mol
Monoisotopic Mass:
246.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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