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

4-Pyridinecarboxylic acid, 2-(phenylMethoxy)-

CAS No.:
467236-25-5
Catalog Number:
AG00DG0T
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
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Product Description
Catalog Number:
AG00DG0T
Chemical Name:
4-Pyridinecarboxylic acid, 2-(phenylMethoxy)-
CAS Number:
467236-25-5
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD11100038
IUPAC Name:
2-phenylmethoxypyridine-4-carboxylic acid
InChI:
InChI=1S/C13H11NO3/c15-13(16)11-6-7-14-12(8-11)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,15,16)
InChI Key:
JIVIAPHYBVSLIP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(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