Home Other Building Blocks sodium 4-hydroxy-2-methylbutanoate

sodium 4-hydroxy-2-methylbutanoate

CAS No.:
107975-82-6
Catalog Number:
AG01EMCC
Molecular Formula:
C5H9NaO3
Molecular Weight:
140.1129
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Product Description
Catalog Number:
AG01EMCC
Chemical Name:
sodium 4-hydroxy-2-methylbutanoate
CAS Number:
107975-82-6
Molecular Formula:
C5H9NaO3
Molecular Weight:
140.1129
MDL Number:
MFCD31666085
IUPAC Name:
sodium;4-hydroxy-2-methylbutanoate
InChI:
InChI=1S/C5H10O3.Na/c1-4(2-3-6)5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);/q;+1/p-1
InChI Key:
PLTXIYNOGPMDEO-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C(CCO)C.[Na+]
Properties
Complexity:
84.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.045g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
140.114g/mol
Monoisotopic Mass:
140.045g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties