200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 566198-28-5
566198-28-5 | 5-(4-Formylphenyl);nicotinic acid
CAS No: 566198-28-5 Catalog No: AG003M5Y MDL No:MFCD05664413
Product Description
Catalog Number:
AG003M5Y
Chemical Name:
5-(4-Formylphenyl);nicotinic acid
CAS Number:
566198-28-5
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
MDL Number:
MFCD05664413
IUPAC Name:
5-(4-formylphenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H9NO3/c15-8-9-1-3-10(4-2-9)11-5-12(13(16)17)7-14-6-11/h1-8H,(H,16,17)
InChI Key:
HXYMSAUBDZGIRE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1cncc(c1)C(=O)O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.219g/mol
Monoisotopic Mass:
227.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.