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1007476-82-5 | Butanoic-3,3-d2 acid, 2-oxo-, sodium salt (1:1)
CAS No: 1007476-82-5 Catalog No: AG0002RE MDL No:
Product Description
Catalog Number:
AG0002RE
Chemical Name:
Butanoic-3,3-d2 acid, 2-oxo-, sodium salt (1:1)
CAS Number:
1007476-82-5
IUPAC Name:
sodium;3,3-dideuterio-2-oxobutanoate
InChI:
InChI=1S/C4H6O3.Na/c1-2-3(5)4(6)7;/h2H2,1H3,(H,6,7);/q;+1/p-1/i2D2;
InChI Key:
SUAMAHKUSIHRMR-IYPYQTRPSA-M
Properties
Complexity:
99.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.026g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
2
Molecular Weight:
126.083g/mol
Monoisotopic Mass:
126.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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