Home Other Building Blocks sodium 2-cyano-1-(oxolan-2-yl)eth-1-en-1-olate

sodium 2-cyano-1-(oxolan-2-yl)eth-1-en-1-olate

CAS No.:
1221728-72-8
Catalog Number:
AG01A7P2
Molecular Formula:
C7H8NNaO2
Molecular Weight:
161.1337
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Product Description
Catalog Number:
AG01A7P2
Chemical Name:
sodium 2-cyano-1-(oxolan-2-yl)eth-1-en-1-olate
CAS Number:
1221728-72-8
Molecular Formula:
C7H8NNaO2
Molecular Weight:
161.1337
MDL Number:
MFCD14705756
IUPAC Name:
sodium;2-cyano-1-(oxolan-2-yl)ethenolate
InChI:
InChI=1S/C7H9NO2.Na/c8-4-3-6(9)7-2-1-5-10-7;/h3,7,9H,1-2,5H2;/q;+1/p-1
InChI Key:
CKAUZTNWMYUBKC-UHFFFAOYSA-M
SMILES:
N#CC=C(C1CCCO1)[O-].[Na+]
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.045g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.136g/mol
Monoisotopic Mass:
161.045g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
Properties