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Home > Pyridines > 926230-66-2
926230-66-2 | 3,5-dimethyl-4-[(pyridin-3-yl)methoxy]benzoic acid
CAS No: 926230-66-2 Catalog No: AG019N8N MDL No:MFCD08443181
Product Description
Catalog Number:
AG019N8N
Chemical Name:
3,5-dimethyl-4-[(pyridin-3-yl)methoxy]benzoic acid
CAS Number:
926230-66-2
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
MDL Number:
MFCD08443181
IUPAC Name:
3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoic acid
InChI:
InChI=1S/C15H15NO3/c1-10-6-13(15(17)18)7-11(2)14(10)19-9-12-4-3-5-16-8-12/h3-8H,9H2,1-2H3,(H,17,18)
InChI Key:
MPXYDASDOGSCFL-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1OCc1cccnc1)C)C(=O)O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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