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126-20-5 | 1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, sodium salt (1:2)
CAS No: 126-20-5 Catalog No: AG000QO4 MDL No:
Product Description
Catalog Number:
AG000QO4
Chemical Name:
1,3-Dioxolane-4,4-diacetic acid, 5-oxo-, sodium salt (1:2)
CAS Number:
126-20-5
Molecular Formula:
C7H6Na2O7
Molecular Weight:
248.0979
IUPAC Name:
disodium;2-[4-(carboxylatomethyl)-5-oxo-1,3-dioxolan-4-yl]acetate
InChI:
InChI=1S/C7H8O7.2Na/c8-4(9)1-7(2-5(10)11)6(12)13-3-14-7;;/h1-3H2,(H,8,9)(H,10,11);;/q;2*+1/p-2
InChI Key:
HGXYMHQZIAWNKI-UHFFFAOYSA-L
SMILES:
[O-]C(=O)CC1(OCOC1=O)CC(=O)[O-].[Na+].[Na+]
EC Number:
204-777-9
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.991g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.098g/mol
Monoisotopic Mass:
247.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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