200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 100545-64-0
100545-64-0 | Benzoic acid, 4-(decyloxy)-, 4-(2-methylbutyl)phenyl ester
CAS No: 100545-64-0 Catalog No: AG0002BD MDL No:
Product Description
Catalog Number:
AG0002BD
Chemical Name:
Benzoic acid, 4-(decyloxy)-, 4-(2-methylbutyl)phenyl ester
CAS Number:
100545-64-0
Molecular Formula:
C28H40O3
Molecular Weight:
424.6154
IUPAC Name:
[4-(2-methylbutyl)phenyl] 4-decoxybenzoate
InChI:
InChI=1S/C28H40O3/c1-4-6-7-8-9-10-11-12-21-30-26-19-15-25(16-20-26)28(29)31-27-17-13-24(14-18-27)22-23(3)5-2/h13-20,23H,4-12,21-22H2,1-3H3
InChI Key:
AXTSICLPKIDIMY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)CC(CC)C
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.298g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.625g/mol
Monoisotopic Mass:
424.298g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.