200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 1041859-78-2
1041859-78-2 | tert-Butyl 3-(1-oxy-5-phenyl-2-pyridinyl)acrylate
CAS No: 1041859-78-2 Catalog No: AG01DL6W MDL No:
Product Description
Catalog Number:
AG01DL6W
Chemical Name:
tert-Butyl 3-(1-oxy-5-phenyl-2-pyridinyl)acrylate
CAS Number:
1041859-78-2
Molecular Formula:
C18H19NO3
Molecular Weight:
297.3484
IUPAC Name:
tert-butyl (E)-3-(1-oxido-5-phenylpyridin-1-ium-2-yl)prop-2-enoate
InChI:
InChI=1S/C18H19NO3/c1-18(2,3)22-17(20)12-11-16-10-9-15(13-19(16)21)14-7-5-4-6-8-14/h4-13H,1-3H3/b12-11+
InChI Key:
AQXWIOWSVXZTGK-VAWYXSNFSA-N
SMILES:
O=C(OC(C)(C)C)/C=C/c1ccc(c[n+]1[O-])c1ccccc1
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
297.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.354g/mol
Monoisotopic Mass:
297.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.