200,000+ products from a single source!
sales@angenechem.com
89267-44-7 | 3,5-Pyridinedicarboxylic acid, 2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-
CAS No: 89267-44-7 Catalog No: AG0041JW MDL No:
Product Description
Catalog Number:
AG0041JW
Chemical Name:
3,5-Pyridinedicarboxylic acid, 2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)-
CAS Number:
89267-44-7
Molecular Formula:
C15H12N2O8
Molecular Weight:
348.2644
IUPAC Name:
2,6-bis(hydroxymethyl)-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid
InChI:
InChI=1S/C15H12N2O8/c18-5-9-12(14(20)21)11(13(15(22)23)10(6-19)16-9)7-2-1-3-8(4-7)17(24)25/h1-4,18-19H,5-6H2,(H,20,21)(H,22,23)
InChI Key:
JFIUZKQLISMOGV-UHFFFAOYSA-N
SMILES:
OCc1nc(CO)c(c(c1C(=O)O)c1cccc(c1)[N+](=O)[O-])C(=O)O
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.059g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
348.267g/mol
Monoisotopic Mass:
348.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.