200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 123688-85-7
123688-85-7 | Benzoic acid, 4-(octyloxy)-, 4-(benzoyloxy)phenyl ester
CAS No: 123688-85-7 Catalog No: AG000KYK MDL No:
Product Description
Catalog Number:
AG000KYK
Chemical Name:
Benzoic acid, 4-(octyloxy)-, 4-(benzoyloxy)phenyl ester
CAS Number:
123688-85-7
Molecular Formula:
C28H30O5
Molecular Weight:
446.5348
IUPAC Name:
(4-benzoyloxyphenyl) 4-octoxybenzoate
InChI:
InChI=1S/C28H30O5/c1-2-3-4-5-6-10-21-31-24-15-13-23(14-16-24)28(30)33-26-19-17-25(18-20-26)32-27(29)22-11-8-7-9-12-22/h7-9,11-20H,2-6,10,21H2,1H3
InChI Key:
CECDIJXSKMTEGF-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)OC(=O)c1ccccc1
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.209g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.543g/mol
Monoisotopic Mass:
446.209g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.