200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 156376-94-2
156376-94-2 | Dodecanedioic acid, 1,12-diisoeicosyl ester
CAS No: 156376-94-2 Catalog No: AG001OOU MDL No:
Product Description
Catalog Number:
AG001OOU
Chemical Name:
Dodecanedioic acid, 1,12-diisoeicosyl ester
CAS Number:
156376-94-2
Molecular Formula:
C52H102O4
Molecular Weight:
791.3639
IUPAC Name:
bis(18-methylnonadecyl) dodecanedioate
InChI:
InChI=1S/C52H102O4/c1-49(2)43-37-31-25-19-15-11-7-5-9-13-17-23-29-35-41-47-55-51(53)45-39-33-27-21-22-28-34-40-46-52(54)56-48-42-36-30-24-18-14-10-6-8-12-16-20-26-32-38-44-50(3)4/h49-50H,5-48H2,1-4H3
InChI Key:
BIBCGKCLMSISQS-UHFFFAOYSA-N
SMILES:
CC(CCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC(C)C)C
Properties
Complexity:
713
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
790.778g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
791.384g/mol
Monoisotopic Mass:
790.778g/mol
Rotatable Bond Count:
49
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
23.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.