200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 144282-53-1
144282-53-1 | Butanedioic acid, 2-hydroxy-, 1,4-bis(2-hexyloctyl) ester
CAS No: 144282-53-1 Catalog No: AG001J86 MDL No:
Product Description
Catalog Number:
AG001J86
Chemical Name:
Butanedioic acid, 2-hydroxy-, 1,4-bis(2-hexyloctyl) ester
CAS Number:
144282-53-1
Molecular Formula:
C32H62O5
Molecular Weight:
526.8317
IUPAC Name:
bis(2-hexyloctyl) 2-hydroxybutanedioate
InChI:
InChI=1S/C32H62O5/c1-5-9-13-17-21-28(22-18-14-10-6-2)26-36-31(34)25-30(33)32(35)37-27-29(23-19-15-11-7-3)24-20-16-12-8-4/h28-30,33H,5-27H2,1-4H3
InChI Key:
ACSUTAJXDWFPCY-UHFFFAOYSA-N
SMILES:
CCCCCCC(COC(=O)CC(C(=O)OCC(CCCCCC)CCCCCC)O)CCCCCC
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
526.46g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
526.843g/mol
Monoisotopic Mass:
526.46g/mol
Rotatable Bond Count:
29
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
12.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.