Home Carboxys 2-Pyridinecarboxylic acid, 4-(phenylmethoxy)-

2-Pyridinecarboxylic acid, 4-(phenylmethoxy)-

CAS No.:
100727-49-9
Catalog Number:
AG0002Q8
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
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Product Description
Catalog Number:
AG0002Q8
Chemical Name:
2-Pyridinecarboxylic acid, 4-(phenylmethoxy)-
CAS Number:
100727-49-9
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD11181375
IUPAC Name:
4-phenylmethoxypyridine-2-carboxylic acid
InChI:
InChI=1S/C13H11NO3/c15-13(16)12-8-11(6-7-14-12)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,15,16)
InChI Key:
MKVBGJYWNVWGHX-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccc(c1)OCc1ccccc1
Properties
Complexity:
251  
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:
4  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties