200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 197635-32-8
197635-32-8 | Benzoic acid, 4-[2-(4,5-dihydro-2-methyl-1H-imidazol-1-yl)ethoxy]-, methyl ester, ethanedioate (1:1)
CAS No: 197635-32-8 Catalog No: AG002AXS MDL No:
Product Description
Catalog Number:
AG002AXS
Chemical Name:
Benzoic acid, 4-[2-(4,5-dihydro-2-methyl-1H-imidazol-1-yl)ethoxy]-, methyl ester, ethanedioate (1:1)
CAS Number:
197635-32-8
Molecular Formula:
C16H20N2O7
Molecular Weight:
352.3392
IUPAC Name:
methyl 4-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethoxy]benzoate;oxalic acid
InChI:
InChI=1S/C14H18N2O3.C2H2O4/c1-11-15-7-8-16(11)9-10-19-13-5-3-12(4-6-13)14(17)18-2;3-1(4)2(5)6/h3-6H,7-10H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
JPZQYVJALIXKTP-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.COC(=O)c1ccc(cc1)OCCN1CCN=C1C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.343g/mol
Monoisotopic Mass:
352.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.