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Home > Pyridines > 249292-44-2
249292-44-2 | Benzoic acid, 4-(1,6-dihydro-6-oxo-3-pyridazinyl)-
CAS No: 249292-44-2 Catalog No: AG019FRQ MDL No:MFCD16482235
Product Description
Catalog Number:
AG019FRQ
Chemical Name:
Benzoic acid, 4-(1,6-dihydro-6-oxo-3-pyridazinyl)-
CAS Number:
249292-44-2
Molecular Formula:
C11H8N2O3
Molecular Weight:
216.1928
MDL Number:
MFCD16482235
IUPAC Name:
4-(6-oxo-1H-pyridazin-3-yl)benzoic acid
InChI:
InChI=1S/C11H8N2O3/c14-10-6-5-9(12-13-10)7-1-3-8(4-2-7)11(15)16/h1-6H,(H,13,14)(H,15,16)
InChI Key:
VOCMUCJYMGABRT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1ccc(=O)[nH]n1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.196g/mol
Monoisotopic Mass:
216.053g/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
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