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Home > Pyridines > 1235441-37-8
1235441-37-8 | 3-(6-Methoxypyridazin-3-yl)benzoic acid
CAS No: 1235441-37-8 Catalog No: AG01FC8Q MDL No:
Product Description
Catalog Number:
AG01FC8Q
Chemical Name:
3-(6-Methoxypyridazin-3-yl)benzoic acid
CAS Number:
1235441-37-8
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
IUPAC Name:
3-(6-methoxypyridazin-3-yl)benzoic acid
InChI:
InChI=1S/C12H10N2O3/c1-17-11-6-5-10(13-14-11)8-3-2-4-9(7-8)12(15)16/h2-7H,1H3,(H,15,16)
InChI Key:
PDZSHMXZQBOSJN-UHFFFAOYSA-N
SMILES:
COc1ccc(nn1)c1cccc(c1)C(=O)O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.223g/mol
Monoisotopic Mass:
230.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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