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Home > Pyridines > 1172741-47-7
1172741-47-7 | 4-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzoic acid
CAS No: 1172741-47-7 Catalog No: AG00J51P MDL No:MFCD14281609
Product Description
Catalog Number:
AG00J51P
Chemical Name:
4-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzoic acid
CAS Number:
1172741-47-7
Molecular Formula:
C18H14N2O4
Molecular Weight:
322.3148
MDL Number:
MFCD14281609
IUPAC Name:
4-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzoic acid
InChI:
InChI=1S/C18H14N2O4/c1-23-15-4-2-3-5-16(15)24-17-11-10-14(19-20-17)12-6-8-13(9-7-12)18(21)22/h2-11H,1H3,(H,21,22)
InChI Key:
GEKVFBPSUUIWMQ-UHFFFAOYSA-N
SMILES:
COc1ccccc1Oc1ccc(nn1)c1ccc(cc1)C(=O)O
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.095g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.32g/mol
Monoisotopic Mass:
322.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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