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15795-58-1 | 1,3-Dioxane-4,6-dione, 5-[(3-hydroxyphenyl)methylene]-2,2-dimethyl-
CAS No: 15795-58-1 Catalog No: AG001PUI MDL No:MFCD00128551
Product Description
Catalog Number:
AG001PUI
Chemical Name:
1,3-Dioxane-4,6-dione, 5-[(3-hydroxyphenyl)methylene]-2,2-dimethyl-
CAS Number:
15795-58-1
Molecular Formula:
C13H12O5
Molecular Weight:
248.2314
MDL Number:
MFCD00128551
IUPAC Name:
5-[(3-hydroxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C13H12O5/c1-13(2)17-11(15)10(12(16)18-13)7-8-4-3-5-9(14)6-8/h3-7,14H,1-2H3
InChI Key:
LCLVJNFWTMYFRL-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C=C1C(=O)OC(OC1=O)(C)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.234g/mol
Monoisotopic Mass:
248.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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