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114077-80-4 | 4-Pyridineacetic acid, 3-phenoxy-
CAS No: 114077-80-4 Catalog No: AG000AH9 MDL No:
Product Description
Catalog Number:
AG000AH9
Chemical Name:
4-Pyridineacetic acid, 3-phenoxy-
CAS Number:
114077-80-4
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
IUPAC Name:
2-(3-phenoxypyridin-4-yl)acetic acid
InChI:
InChI=1S/C13H11NO3/c15-13(16)8-10-6-7-14-9-12(10)17-11-4-2-1-3-5-11/h1-7,9H,8H2,(H,15,16)
InChI Key:
IHLAZOCPYPNZCU-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccncc1Oc1ccccc1
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:
1.8
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