200,000+ products from a single source!
sales@angenechem.com
100853-50-7 | 1,3-Benzenedicarboxylic acid, 1,3-bis[4-(phenoxycarbonyl)phenyl] ester
CAS No: 100853-50-7 Catalog No: AG00031J MDL No:
Product Description
Catalog Number:
AG00031J
Chemical Name:
1,3-Benzenedicarboxylic acid, 1,3-bis[4-(phenoxycarbonyl)phenyl] ester
CAS Number:
100853-50-7
Molecular Formula:
C34H22O8
Molecular Weight:
558.5337
IUPAC Name:
bis(4-phenoxycarbonylphenyl) benzene-1,3-dicarboxylate
InChI:
InChI=1S/C34H22O8/c35-31(39-27-10-3-1-4-11-27)23-14-18-29(19-15-23)41-33(37)25-8-7-9-26(22-25)34(38)42-30-20-16-24(17-21-30)32(36)40-28-12-5-2-6-13-28/h1-22H
InChI Key:
ZRWKATHOUTXKMG-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)C(=O)Oc1ccc(cc1)C(=O)Oc1ccccc1)Oc1ccc(cc1)C(=O)Oc1ccccc1
Properties
Complexity:
833
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.131g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
558.542g/mol
Monoisotopic Mass:
558.131g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.