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

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

CAS No.:
1519999-87-1
Catalog Number:
AG01AM9C
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01AM9C
Chemical Name:
3-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanoic acid
CAS Number:
1519999-87-1
MDL Number:
MFCD24269121
IUPAC Name:
3-(4-methyl-5-oxo-1,2,4-triazol-1-yl)propanoic acid
InChI:
InChI=1S/C6H9N3O3/c1-8-4-7-9(6(8)12)3-2-5(10)11/h4H,2-3H2,1H3,(H,10,11)
InChI Key:
QSFBZXPNYMGMMW-UHFFFAOYSA-N
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.156g/mol
Monoisotopic Mass:
171.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties