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Home > Pyridines > 1554504-76-5
1554504-76-5 | 3-(2-Methoxypyridin-4-yl)benzoic acid
CAS No: 1554504-76-5 Catalog No: AG00HYBW MDL No:MFCD25242237
Product Description
Catalog Number:
AG00HYBW
Chemical Name:
3-(2-Methoxypyridin-4-yl)benzoic acid
CAS Number:
1554504-76-5
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD25242237
IUPAC Name:
3-(2-methoxypyridin-4-yl)benzoic acid
InChI:
InChI=1S/C13H11NO3/c1-17-12-8-10(5-6-14-12)9-3-2-4-11(7-9)13(15)16/h2-8H,1H3,(H,15,16)
InChI Key:
TVLPAZCCWINVET-UHFFFAOYSA-N
SMILES:
COc1nccc(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:
2.3
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