Home Other Building Blocks tert-butyl 2-(3,5-dioxo-1,2,4-triazolidin-4-yl)acetate

tert-butyl 2-(3,5-dioxo-1,2,4-triazolidin-4-yl)acetate

CAS No.:
1989672-34-5
Catalog Number:
AG01B5IX
Molecular Formula:
C8H13N3O4
Molecular Weight:
215.2065
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Product Description
Catalog Number:
AG01B5IX
Chemical Name:
tert-butyl 2-(3,5-dioxo-1,2,4-triazolidin-4-yl)acetate
CAS Number:
1989672-34-5
Molecular Formula:
C8H13N3O4
Molecular Weight:
215.2065
MDL Number:
MFCD30342771
IUPAC Name:
tert-butyl 2-(3,5-dioxo-1,2,4-triazolidin-4-yl)acetate
InChI:
InChI=1S/C8H13N3O4/c1-8(2,3)15-5(12)4-11-6(13)9-10-7(11)14/h4H2,1-3H3,(H,9,13)(H,10,14)
InChI Key:
TUPYCFTYSLHZCM-UHFFFAOYSA-N
SMILES:
O=C(Cn1c(=O)[nH][nH]c1=O)OC(C)(C)C
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.091g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.209g/mol
Monoisotopic Mass:
215.091g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties