Home Other Building Blocks sodium 3-oxobut-1-en-1-olate

sodium 3-oxobut-1-en-1-olate

CAS No.:
42731-41-9
Catalog Number:
AG01AI9P
Molecular Formula:
C4H5NaO2
Molecular Weight:
108.0711
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Product Description
Catalog Number:
AG01AI9P
Chemical Name:
sodium 3-oxobut-1-en-1-olate
CAS Number:
42731-41-9
Molecular Formula:
C4H5NaO2
Molecular Weight:
108.0711
IUPAC Name:
sodium;3-oxobut-1-en-1-olate
InChI:
InChI=1S/C4H6O2.Na/c1-4(6)2-3-5;/h2-3,5H,1H3;/q;+1/p-1
InChI Key:
XMAOLNHCOHNAHQ-UHFFFAOYSA-M
SMILES:
[O-]C=CC(=O)C.[Na+]
Properties
Complexity:
77.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.019g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.072g/mol
Monoisotopic Mass:
108.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
Properties