Home Other Building Blocks 3-(5-oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanoic acid

3-(5-oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanoic acid

CAS No.:
933747-05-8
Catalog Number:
AG01A04U
Molecular Formula:
C5H7N3O3
Molecular Weight:
157.1274
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Product Description
Catalog Number:
AG01A04U
Chemical Name:
3-(5-oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanoic acid
CAS Number:
933747-05-8
Molecular Formula:
C5H7N3O3
Molecular Weight:
157.1274
MDL Number:
MFCD22378623
IUPAC Name:
3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoic acid
InChI:
InChI=1S/C5H7N3O3/c9-4(10)2-1-3-6-5(11)8-7-3/h1-2H2,(H,9,10)(H2,6,7,8,11)
InChI Key:
WMVSBJVQCHFZJU-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1[nH][nH]c(=O)n1
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.049g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
157.129g/mol
Monoisotopic Mass:
157.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  
Properties