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158732-38-8 | 4H-1,3-Dioxin-4-one, 6-[(2R)-2-hydroxy-2-phenylethyl]-2,2-dimethyl-
CAS No: 158732-38-8 Catalog No: AG001QTO MDL No:
Product Description
Catalog Number:
AG001QTO
Chemical Name:
4H-1,3-Dioxin-4-one, 6-[(2R)-2-hydroxy-2-phenylethyl]-2,2-dimethyl-
CAS Number:
158732-38-8
Molecular Formula:
C14H16O4
Molecular Weight:
248.2744
IUPAC Name:
6-[(2R)-2-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-dioxin-4-one
InChI:
InChI=1S/C14H16O4/c1-14(2)17-11(9-13(16)18-14)8-12(15)10-6-4-3-5-7-10/h3-7,9,12,15H,8H2,1-2H3/t12-/m1/s1
InChI Key:
FMAQRTJXTXWTHB-GFCCVEGCSA-N
SMILES:
O[C@@H](c1ccccc1)CC1=CC(=O)OC(O1)(C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
248.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.278g/mol
Monoisotopic Mass:
248.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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