200,000+ products from a single source!
sales@angenechem.com
84835-19-8 | 2-Propenoic acid, 3-(1-isoquinolinyl)-
CAS No: 84835-19-8 Catalog No: AG004X2S MDL No:
Product Description
Catalog Number:
AG004X2S
Chemical Name:
2-Propenoic acid, 3-(1-isoquinolinyl)-
CAS Number:
84835-19-8
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
IUPAC Name:
3-isoquinolin-1-ylprop-2-enoic acid
InChI:
InChI=1S/C12H9NO2/c14-12(15)6-5-11-10-4-2-1-3-9(10)7-8-13-11/h1-8H,(H,14,15)
InChI Key:
IVPZDWIXSZJSGO-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1nccc2c1cccc2
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.