Home Other Building Blocks sodium 2-cyano-4-phenylbutanoate

sodium 2-cyano-4-phenylbutanoate

CAS No.:
1798750-53-4
Catalog Number:
AG01BDVX
Molecular Formula:
C11H10NNaO2
Molecular Weight:
211.1924
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Product Description
Catalog Number:
AG01BDVX
Chemical Name:
sodium 2-cyano-4-phenylbutanoate
CAS Number:
1798750-53-4
Molecular Formula:
C11H10NNaO2
Molecular Weight:
211.1924
MDL Number:
MFCD28063931
IUPAC Name:
sodium;2-cyano-4-phenylbutanoate
InChI:
InChI=1S/C11H11NO2.Na/c12-8-10(11(13)14)7-6-9-4-2-1-3-5-9;/h1-5,10H,6-7H2,(H,13,14);/q;+1/p-1
InChI Key:
GKZHEZXTJQEWOP-UHFFFAOYSA-M
SMILES:
N#CC(C(=O)[O-])CCc1ccccc1.[Na+]
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.061g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.196g/mol
Monoisotopic Mass:
211.061g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties