Home Nitriles bis((2S)-azetidine-2-carbonitrile); oxalic acid

bis((2S)-azetidine-2-carbonitrile); oxalic acid

CAS No.:
2068137-88-0
Catalog Number:
AG00IKQD
Molecular Formula:
C10H14N4O4
Molecular Weight:
254.2426
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Product Description
Catalog Number:
AG00IKQD
Chemical Name:
bis((2S)-azetidine-2-carbonitrile); oxalic acid
CAS Number:
2068137-88-0
Molecular Formula:
C10H14N4O4
Molecular Weight:
254.2426
IUPAC Name:
(2S)-azetidine-2-carbonitrile;oxalic acid
InChI:
InChI=1S/2C4H6N2.C2H2O4/c2*5-3-4-1-2-6-4;3-1(4)2(5)6/h2*4,6H,1-2H2;(H,3,4)(H,5,6)/t2*4-;/m00./s1
InChI Key:
OODAFZBGMZZKNL-SCGRZTRASA-N
SMILES:
OC(=O)C(=O)O.N#C[C@@H]1CCN1.N#C[C@@H]1CCN1
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
254.102g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
254.246g/mol
Monoisotopic Mass:
254.102g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties