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

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

CAS No.:
78409-62-8
Catalog Number:
AG01B5DK
Molecular Formula:
C6H9N3O4
Molecular Weight:
187.1534
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Product Description
Catalog Number:
AG01B5DK
Chemical Name:
4-(3,5-dioxo-1,2,4-triazolidin-4-yl)butanoic acid
CAS Number:
78409-62-8
Molecular Formula:
C6H9N3O4
Molecular Weight:
187.1534
MDL Number:
MFCD24502259
IUPAC Name:
4-(3,5-dioxo-1,2,4-triazolidin-4-yl)butanoic acid
InChI:
InChI=1S/C6H9N3O4/c10-4(11)2-1-3-9-5(12)7-8-6(9)13/h1-3H2,(H,7,12)(H,8,13)(H,10,11)
InChI Key:
AQURIHZWVLCBGN-UHFFFAOYSA-N
SMILES:
OC(=O)CCCn1c(=O)[nH][nH]c1=O
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
187.155g/mol
Monoisotopic Mass:
187.059g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Properties