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51828-97-8

51828-97-8 | α-Keto-γ-(methylthio)butyric acid sodium salt

CAS No: 51828-97-8 Catalog No: AG003VFW MDL No:MFCD00010511

Product Description

Catalog Number:
AG003VFW
Chemical Name:
α-Keto-γ-(methylthio)butyric acid sodium salt
CAS Number:
51828-97-8
Molecular Formula:
C5H7NaO3S
Molecular Weight:
170.1620
MDL Number:
MFCD00010511
IUPAC Name:
sodium;4-methylsulfanyl-2-oxobutanoate
InChI:
InChI=1S/C5H8O3S.Na/c1-9-3-2-4(6)5(7)8;/h2-3H2,1H3,(H,7,8);/q;+1/p-1
InChI Key:
IFSCKRWNXKWTLR-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C(=O)CCSC.[Na+]
UNII:
2EZY36W75U

Properties

Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.001g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.158g/mol
Monoisotopic Mass:
170.001g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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