200,000+ products from a single source!
sales@angenechem.com
116115-00-5 | 3-Pyridinecarboxylic acid, 6-methyl-4-[(2,3,5-trimethoxyphenyl)methyl]-
CAS No: 116115-00-5 Catalog No: AG000BO7 MDL No:
Product Description
Catalog Number:
AG000BO7
Chemical Name:
3-Pyridinecarboxylic acid, 6-methyl-4-[(2,3,5-trimethoxyphenyl)methyl]-
CAS Number:
116115-00-5
Molecular Formula:
C17H19NO5
Molecular Weight:
317.3365
IUPAC Name:
6-methyl-4-[(2,3,5-trimethoxyphenyl)methyl]pyridine-3-carboxylic acid
InChI:
InChI=1S/C17H19NO5/c1-10-5-11(14(9-18-10)17(19)20)6-12-7-13(21-2)8-15(22-3)16(12)23-4/h5,7-9H,6H2,1-4H3,(H,19,20)
InChI Key:
IHWGZOOZFLHREZ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c(c1)Cc1cc(C)ncc1C(=O)O)OC
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.341g/mol
Monoisotopic Mass:
317.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.