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145122-43-6 | 1,3-Dioxane-4,6-dione, 5-(dihydro-2(3H)-furanylidene)-2,2-dimethyl-
CAS No: 145122-43-6 Catalog No: AG001KKO MDL No:MFCD01631215
Product Description
Catalog Number:
AG001KKO
Chemical Name:
1,3-Dioxane-4,6-dione, 5-(dihydro-2(3H)-furanylidene)-2,2-dimethyl-
CAS Number:
145122-43-6
Molecular Formula:
C10H12O5
Molecular Weight:
212.1993
MDL Number:
MFCD01631215
IUPAC Name:
2,2-dimethyl-5-(oxolan-2-ylidene)-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C10H12O5/c1-10(2)14-8(11)7(9(12)15-10)6-4-3-5-13-6/h3-5H2,1-2H3
InChI Key:
JSUMRUSDCOEXFQ-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(C)OC(=O)C1=C1CCCO1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.201g/mol
Monoisotopic Mass:
212.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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