Home Other Building Blocks 2-(3,5-dioxo-1,2,4-triazolidin-4-yl)acetic acid

2-(3,5-dioxo-1,2,4-triazolidin-4-yl)acetic acid

CAS No.:
78409-55-9
Catalog Number:
AG01B6J6
Molecular Formula:
C4H5N3O4
Molecular Weight:
159.1002
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Product Description
Catalog Number:
AG01B6J6
Chemical Name:
2-(3,5-dioxo-1,2,4-triazolidin-4-yl)acetic acid
CAS Number:
78409-55-9
Molecular Formula:
C4H5N3O4
Molecular Weight:
159.1002
MDL Number:
MFCD20658123
IUPAC Name:
2-(3,5-dioxo-1,2,4-triazolidin-4-yl)acetic acid
InChI:
InChI=1S/C4H5N3O4/c8-2(9)1-7-3(10)5-6-4(7)11/h1H2,(H,5,10)(H,6,11)(H,8,9)
InChI Key:
GPCMEVQQMDUXOZ-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1c(=O)[nH][nH]c1=O
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.028g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
159.101g/mol
Monoisotopic Mass:
159.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Properties