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15795-51-4 | 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(4-methylphenyl)methylene]-
CAS No: 15795-51-4 Catalog No: AG001PUN MDL No:MFCD00128563
Product Description
Catalog Number:
AG001PUN
Chemical Name:
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(4-methylphenyl)methylene]-
CAS Number:
15795-51-4
Molecular Formula:
C14H14O4
Molecular Weight:
246.2586
MDL Number:
MFCD00128563
IUPAC Name:
2,2-dimethyl-5-[(4-methylphenyl)methylidene]-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C14H14O4/c1-9-4-6-10(7-5-9)8-11-12(15)17-14(2,3)18-13(11)16/h4-8H,1-3H3
InChI Key:
LWXAMCVRKGTPEK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C=C1C(=O)OC(OC1=O)(C)C
Properties
Complexity:
365
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:
1
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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