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Home > Pyridines > 1566174-87-5
1566174-87-5 | 3-(PYRIDAZIN-4-YL)PROP-2-YNOIC ACID
CAS No: 1566174-87-5 Catalog No: AG01DRGX MDL No:MFCD26929865
Product Description
Catalog Number:
AG01DRGX
Chemical Name:
3-(PYRIDAZIN-4-YL)PROP-2-YNOIC ACID
CAS Number:
1566174-87-5
Molecular Formula:
C7H4N2O2
Molecular Weight:
148.1189
MDL Number:
MFCD26929865
IUPAC Name:
3-pyridazin-4-ylprop-2-ynoic acid
InChI:
InChI=1S/C7H4N2O2/c10-7(11)2-1-6-3-4-8-9-5-6/h3-5H,(H,10,11)
InChI Key:
SUKGOHJZBHVVDL-UHFFFAOYSA-N
SMILES:
OC(=O)C#Cc1ccnnc1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.121g/mol
Monoisotopic Mass:
148.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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