200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114626-81-2
114626-81-2 | Propanedioic acid, dimethyl-, bis(2-[1,1'-biphenyl]-4-yl-2-oxoethyl) ester (9CI)
CAS No: 114626-81-2 Catalog No: AG000EV6 MDL No:
Product Description
Catalog Number:
AG000EV6
Chemical Name:
Propanedioic acid, dimethyl-, bis(2-[1,1'-biphenyl]-4-yl-2-oxoethyl) ester (9CI)
CAS Number:
114626-81-2
Molecular Formula:
C33H28O6
Molecular Weight:
520.5718
IUPAC Name:
bis[2-oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylpropanedioate
InChI:
InChI=1S/C33H28O6/c1-33(2,31(36)38-21-29(34)27-17-13-25(14-18-27)23-9-5-3-6-10-23)32(37)39-22-30(35)28-19-15-26(16-20-28)24-11-7-4-8-12-24/h3-20H,21-22H2,1-2H3
InChI Key:
OLIPDHQZGXIUNF-UHFFFAOYSA-N
SMILES:
O=C(C(C(=O)OCC(=O)c1ccc(cc1)c1ccccc1)(C)C)OCC(=O)c1ccc(cc1)c1ccccc1
Properties
Complexity:
766
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
520.189g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
520.581g/mol
Monoisotopic Mass:
520.189g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.