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Home > Other Building Blocks > 13076-17-0
13076-17-0 | 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3R,6R)-
CAS No: 13076-17-0 Catalog No: AG000UXU MDL No:MFCD00082566
Product Description
Catalog Number:
AG000UXU
Chemical Name:
1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3R,6R)-
CAS Number:
13076-17-0
Molecular Formula:
C6H8O4
Molecular Weight:
144.1253
MDL Number:
MFCD00082566
IUPAC Name:
(3R,6R)-3,6-dimethyl-1,4-dioxane-2,5-dione
InChI:
InChI=1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3/t3-,4-/m1/s1
InChI Key:
JJTUDXZGHPGLLC-QWWZWVQMSA-N
SMILES:
C[C@H]1OC(=O)[C@H](OC1=O)C
EC Number:
603-436-5
UNII:
I1863O7V0Q
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
144.042g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.126g/mol
Monoisotopic Mass:
144.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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