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140641-05-0 | 3-Pyridinecarboxylic acid, 2-[4-(1-cyanoethyl)phenoxy]-
CAS No: 140641-05-0 Catalog No: AG001CMB MDL No:
Product Description
Catalog Number:
AG001CMB
Chemical Name:
3-Pyridinecarboxylic acid, 2-[4-(1-cyanoethyl)phenoxy]-
CAS Number:
140641-05-0
Molecular Formula:
C15H12N2O3
Molecular Weight:
268.2674
IUPAC Name:
2-[4-(1-cyanoethyl)phenoxy]pyridine-3-carboxylic acid
InChI:
InChI=1S/C15H12N2O3/c1-10(9-16)11-4-6-12(7-5-11)20-14-13(15(18)19)3-2-8-17-14/h2-8,10H,1H3,(H,18,19)
InChI Key:
ZTDCNPNDDAMVSH-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)Oc1ncccc1C(=O)O)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.272g/mol
Monoisotopic Mass:
268.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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