200,000+ products from a single source!
sales@angenechem.com
137964-13-7 | 1,4-Benzenedicarboxylic acid, 1,4-bis(4-cyanatomethylphenyl) ester
CAS No: 137964-13-7 Catalog No: AG0017R9 MDL No:
Product Description
Catalog Number:
AG0017R9
Chemical Name:
1,4-Benzenedicarboxylic acid, 1,4-bis(4-cyanatomethylphenyl) ester
CAS Number:
137964-13-7
Molecular Formula:
C24H16N2O6
Molecular Weight:
428.3936
IUPAC Name:
bis[4-(cyanatomethyl)phenyl] benzene-1,4-dicarboxylate
InChI:
InChI=1S/C24H16N2O6/c25-15-29-13-17-1-9-21(10-2-17)31-23(27)19-5-7-20(8-6-19)24(28)32-22-11-3-18(4-12-22)14-30-16-26/h1-12H,13-14H2
InChI Key:
VQNOAXKHWHFLOR-UHFFFAOYSA-N
SMILES:
N#COCc1ccc(cc1)OC(=O)c1ccc(cc1)C(=O)Oc1ccc(cc1)COC#N
Properties
Complexity:
651
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.101g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.4g/mol
Monoisotopic Mass:
428.101g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.