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

2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetic acid

CAS No.:
860409-48-9
Catalog Number:
AG01A27Z
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
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Product Description
Catalog Number:
AG01A27Z
Chemical Name:
2-(5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetic acid
CAS Number:
860409-48-9
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
MDL Number:
MFCD11133572
IUPAC Name:
2-(5-oxo-1,4-dihydropyrazol-3-yl)acetic acid
InChI:
InChI=1S/C5H6N2O3/c8-4-1-3(6-7-4)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)
InChI Key:
HGCLFOPYDIALKO-UHFFFAOYSA-N
SMILES:
OC(=O)CC1=NNC(=O)C1
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.038g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
142.114g/mol
Monoisotopic Mass:
142.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties