200,000+ products from a single source!
sales@angenechem.com
86801-34-5 | 1(4H)-Pyridinecarboxylic acid, 4-butyl-, phenyl ester
CAS No: 86801-34-5 Catalog No: AG004MIF MDL No:
Product Description
Catalog Number:
AG004MIF
Chemical Name:
1(4H)-Pyridinecarboxylic acid, 4-butyl-, phenyl ester
CAS Number:
86801-34-5
Molecular Formula:
C16H19NO2
Molecular Weight:
257.3276
IUPAC Name:
phenyl 4-butyl-4H-pyridine-1-carboxylate
InChI:
InChI=1S/C16H19NO2/c1-2-3-7-14-10-12-17(13-11-14)16(18)19-15-8-5-4-6-9-15/h4-6,8-14H,2-3,7H2,1H3
InChI Key:
JPKMKTXDOXPQMH-UHFFFAOYSA-N
SMILES:
CCCCC1C=CN(C=C1)C(=O)Oc1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.333g/mol
Monoisotopic Mass:
257.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.