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Home > Pyridines > 1375068-95-3
1375068-95-3 | 3-(5-Methoxypyridin-3-yl)benzoic acid
CAS No: 1375068-95-3 Catalog No: AG007ZPM MDL No:MFCD22205784
Product Description
Catalog Number:
AG007ZPM
Chemical Name:
3-(5-Methoxypyridin-3-yl)benzoic acid
CAS Number:
1375068-95-3
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD22205784
IUPAC Name:
3-(5-methoxypyridin-3-yl)benzoic acid
InChI:
InChI=1S/C13H11NO3/c1-17-12-6-11(7-14-8-12)9-3-2-4-10(5-9)13(15)16/h2-8H,1H3,(H,15,16)
InChI Key:
YPWKEGOCVGNLJE-UHFFFAOYSA-N
SMILES:
COc1cncc(c1)c1cccc(c1)C(=O)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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