Home Other Building Blocks sodium 3-cyclohexyl-3-oxoprop-1-en-1-olate

sodium 3-cyclohexyl-3-oxoprop-1-en-1-olate

CAS No.:
1344821-52-8
Catalog Number:
AG01A63Z
Molecular Formula:
C9H13NaO2
Molecular Weight:
176.1881
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Product Description
Catalog Number:
AG01A63Z
Chemical Name:
sodium 3-cyclohexyl-3-oxoprop-1-en-1-olate
CAS Number:
1344821-52-8
Molecular Formula:
C9H13NaO2
Molecular Weight:
176.1881
MDL Number:
MFCD18870155
IUPAC Name:
sodium;(E)-3-cyclohexyl-3-oxoprop-1-en-1-olate
InChI:
InChI=1S/C9H14O2.Na/c10-7-6-9(11)8-4-2-1-3-5-8;/h6-8,10H,1-5H2;/q;+1/p-1/b7-6+;
InChI Key:
HKOBWMSZLTYXJE-UHDJGPCESA-M
SMILES:
[O-]C=CC(=O)C1CCCCC1.[Na+]
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
176.081g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.191g/mol
Monoisotopic Mass:
176.081g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties