Home Other Building Blocks 2-[3-(pyridin-4-ylmethoxy)phenyl]acetic acid

2-[3-(pyridin-4-ylmethoxy)phenyl]acetic acid

CAS No.:
1303492-03-6
Catalog Number:
AG01A4OH
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
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Product Description
Catalog Number:
AG01A4OH
Chemical Name:
2-[3-(pyridin-4-ylmethoxy)phenyl]acetic acid
CAS Number:
1303492-03-6
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
IUPAC Name:
2-[3-(pyridin-4-ylmethoxy)phenyl]acetic acid
InChI:
InChI=1S/C14H13NO3/c16-14(17)9-12-2-1-3-13(8-12)18-10-11-4-6-15-7-5-11/h1-8H,9-10H2,(H,16,17)
InChI Key:
IXBPBCHPODMZRI-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1)OCc1ccncc1
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties