200,000+ products from a single source!
sales@angenechem.com
85391-52-2 | 1,2-Benzenedicarboxylicacid, 1-(2,5-dimethylheptyl) 2-nonyl ester
CAS No: 85391-52-2 Catalog No: AG004OHP MDL No:
Product Description
Catalog Number:
AG004OHP
Chemical Name:
1,2-Benzenedicarboxylicacid, 1-(2,5-dimethylheptyl) 2-nonyl ester
CAS Number:
85391-52-2
Molecular Formula:
C26H42O4
Molecular Weight:
418.6093
IUPAC Name:
2-O-(2,5-dimethylheptyl) 1-O-nonyl benzene-1,2-dicarboxylate
InChI:
InChI=1S/C26H42O4/c1-5-7-8-9-10-11-14-19-29-25(27)23-15-12-13-16-24(23)26(28)30-20-22(4)18-17-21(3)6-2/h12-13,15-16,21-22H,5-11,14,17-20H2,1-4H3
InChI Key:
NTBVTZQYXKJYNJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(CCC(CC)C)C
EC Number:
286-807-0
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.308g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.618g/mol
Monoisotopic Mass:
418.308g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.