Home Other Building Blocks potassium 1-cyano-5-methylhex-1-en-2-olate

potassium 1-cyano-5-methylhex-1-en-2-olate

CAS No.:
1432684-10-0
Catalog Number:
AG01A4O2
Molecular Formula:
C8H12KNO
Molecular Weight:
177.2853
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Product Description
Catalog Number:
AG01A4O2
Chemical Name:
potassium 1-cyano-5-methylhex-1-en-2-olate
CAS Number:
1432684-10-0
Molecular Formula:
C8H12KNO
Molecular Weight:
177.2853
MDL Number:
MFCD23701944
IUPAC Name:
potassium;1-cyano-5-methylhex-1-en-2-olate
InChI:
InChI=1S/C8H13NO.K/c1-7(2)3-4-8(10)5-6-9;/h5,7,10H,3-4H2,1-2H3;/q;+1/p-1
InChI Key:
HTILNBGUBBJTSK-UHFFFAOYSA-M
SMILES:
CC(CCC(=CC#N)[O-])C.[K+]
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.056g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.288g/mol
Monoisotopic Mass:
177.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
Properties