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2013-26-5 | Butanoic acid, 2-oxo-, sodium salt (1:1)
CAS No: 2013-26-5 Catalog No: AG002DC3 MDL No:MFCD00150778
Product Description
Catalog Number:
AG002DC3
Chemical Name:
Butanoic acid, 2-oxo-, sodium salt (1:1)
CAS Number:
2013-26-5
Molecular Formula:
C4H5NaO3
Molecular Weight:
124.0705
MDL Number:
MFCD00150778
IUPAC Name:
sodium;2-oxobutanoate
InChI:
InChI=1S/C4H6O3.Na/c1-2-3(5)4(6)7;/h2H2,1H3,(H,6,7);/q;+1/p-1
InChI Key:
SUAMAHKUSIHRMR-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C(=O)CC.[Na+]
EC Number:
217-937-8
UNII:
1632PHS2FR
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:
124.014g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.071g/mol
Monoisotopic Mass:
124.014g/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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