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15568-85-1 | 1,3-Dioxane-4,6-dione, 5-(methoxymethylene)-2,2-dimethyl-
CAS No: 15568-85-1 Catalog No: AG001O4B MDL No:MFCD00599240
Product Description
Catalog Number:
AG001O4B
Chemical Name:
1,3-Dioxane-4,6-dione, 5-(methoxymethylene)-2,2-dimethyl-
CAS Number:
15568-85-1
Molecular Formula:
C8H10O5
Molecular Weight:
186.1620
MDL Number:
MFCD00599240
IUPAC Name:
5-(methoxymethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C8H10O5/c1-8(2)12-6(9)5(4-11-3)7(10)13-8/h4H,1-3H3
InChI Key:
DVLSQHLXPRYYRC-UHFFFAOYSA-N
SMILES:
COC=C1C(=O)OC(OC1=O)(C)C
NSC Number:
662768
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.163g/mol
Monoisotopic Mass:
186.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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