200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 478040-24-3
478040-24-3 | 3-(isoquinolin-4-yl)prop-2-enoic acid
CAS No: 478040-24-3 Catalog No: AG019YWA MDL No:
Product Description
Catalog Number:
AG019YWA
Chemical Name:
3-(isoquinolin-4-yl)prop-2-enoic acid
CAS Number:
478040-24-3
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
IUPAC Name:
3-isoquinolin-4-ylprop-2-enoic acid
InChI:
InChI=1S/C12H9NO2/c14-12(15)6-5-10-8-13-7-9-3-1-2-4-11(9)10/h1-8H,(H,14,15)
InChI Key:
VAYIJIGCUZLGRC-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1cncc2c1cccc2
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.209g/mol
Monoisotopic Mass:
199.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.