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123254-02-4 | 1,3-Dioxane-4,6-dione-5-13C, 2,2-dimethyl-
CAS No: 123254-02-4 Catalog No: AG000K8N MDL No:
Product Description
Catalog Number:
AG000K8N
Chemical Name:
1,3-Dioxane-4,6-dione-5-13C, 2,2-dimethyl-
CAS Number:
123254-02-4
Molecular Formula:
C6H8O4
Molecular Weight:
145.1180
IUPAC Name:
2,2-dimethyl-(513C)1,3-dioxane-4,6-dione
InChI:
InChI=1S/C6H8O4/c1-6(2)9-4(7)3-5(8)10-6/h3H2,1-2H3/i3+1
InChI Key:
GXHFUVWIGNLZSC-LBPDFUHNSA-N
SMILES:
O=C1[13CH2]C(=O)OC(O1)(C)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.046g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
1
Molecular Weight:
145.118g/mol
Monoisotopic Mass:
145.046g/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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