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Home > Pyridines > 1567124-43-9
1567124-43-9 | METHYL 3-(PYRIDAZIN-4-YL)PROP-2-YNOATE
CAS No: 1567124-43-9 Catalog No: AG01DRF6 MDL No:MFCD26929862
Product Description
Catalog Number:
AG01DRF6
Chemical Name:
METHYL 3-(PYRIDAZIN-4-YL)PROP-2-YNOATE
CAS Number:
1567124-43-9
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD26929862
IUPAC Name:
methyl 3-pyridazin-4-ylprop-2-ynoate
InChI:
InChI=1S/C8H6N2O2/c1-12-8(11)3-2-7-4-5-9-10-6-7/h4-6H,1H3
InChI Key:
PNCBEYLYCRHRRO-UHFFFAOYSA-N
SMILES:
COC(=O)C#Cc1ccnnc1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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