200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 102364-09-0
102364-09-0 | Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester
CAS No: 102364-09-0 Catalog No: AG00079R MDL No:
Product Description
Catalog Number:
AG00079R
Chemical Name:
Benzoic acid, 4-(decyloxy)-, 4-(2-ethoxypropoxy)phenyl ester
CAS Number:
102364-09-0
Molecular Formula:
C28H40O5
Molecular Weight:
456.6142
IUPAC Name:
[4-(2-ethoxypropoxy)phenyl] 4-decoxybenzoate
InChI:
InChI=1S/C28H40O5/c1-4-6-7-8-9-10-11-12-21-31-25-15-13-24(14-16-25)28(29)33-27-19-17-26(18-20-27)32-22-23(3)30-5-2/h13-20,23H,4-12,21-22H2,1-3H3
InChI Key:
VTNOTMBKDGRSMB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)OCC(OCC)C
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.288g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.623g/mol
Monoisotopic Mass:
456.288g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.