Home Other Building Blocks 3-(Pyridazin-4-yl)propanoic acid

3-(Pyridazin-4-yl)propanoic acid

CAS No.:
1092297-70-5
Catalog Number:
AG00IL6U
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
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Product Description
Catalog Number:
AG00IL6U
Chemical Name:
3-(Pyridazin-4-yl)propanoic acid
CAS Number:
1092297-70-5
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD10700177
IUPAC Name:
3-pyridazin-4-ylpropanoic acid
InChI:
InChI=1S/C7H8N2O2/c10-7(11)2-1-6-3-4-8-9-5-6/h3-5H,1-2H2,(H,10,11)
InChI Key:
SMLDKRRBBREHJJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccnnc1
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties