Home Other Building Blocks Methyl acetoacetate sodium salt

Methyl acetoacetate sodium salt

CAS No.:
34284-28-1
Catalog Number:
AG007GVI
Molecular Formula:
C5H7NaO3
Molecular Weight:
138.0970
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Product Description
Catalog Number:
AG007GVI
Chemical Name:
Methyl acetoacetate sodium salt
CAS Number:
34284-28-1
Molecular Formula:
C5H7NaO3
Molecular Weight:
138.0970
MDL Number:
MFCD00066217
IUPAC Name:
sodium;(Z)-4-methoxy-4-oxobut-2-en-2-olate
InChI:
InChI=1S/C5H8O3.Na/c1-4(6)3-5(7)8-2;/h3,6H,1-2H3;/q;+1/p-1/b4-3-;
InChI Key:
PZPFXRQPPDCUQY-LNKPDPKZSA-M
SMILES:
COC(=O)/C=C(/C)\[O-].[Na+]
EC Number:
251-918-5
Properties
Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
138.029g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.098g/mol
Monoisotopic Mass:
138.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties