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15795-56-9 | 1,3-Dioxane-4,6-dione, 5-[(2-methoxyphenyl)methylene]-2,2-dimethyl-
CAS No: 15795-56-9 Catalog No: AG001PUK MDL No:MFCD00128556
Product Description
Catalog Number:
AG001PUK
Chemical Name:
1,3-Dioxane-4,6-dione, 5-[(2-methoxyphenyl)methylene]-2,2-dimethyl-
CAS Number:
15795-56-9
Molecular Formula:
C14H14O5
Molecular Weight:
262.2580
MDL Number:
MFCD00128556
IUPAC Name:
5-[(2-methoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C14H14O5/c1-14(2)18-12(15)10(13(16)19-14)8-9-6-4-5-7-11(9)17-3/h4-8H,1-3H3
InChI Key:
CNEJJACJHKSHJO-UHFFFAOYSA-N
SMILES:
COc1ccccc1C=C1C(=O)OC(OC1=O)(C)C
NSC Number:
636627
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.261g/mol
Monoisotopic Mass:
262.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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