200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 188998-77-8
188998-77-8 | Benzoic acid, 4-[[(1R)-1-methylheptyl]oxy]-, 4-pentylphenyl ester
CAS No: 188998-77-8 Catalog No: AG002HOB MDL No:
Product Description
Catalog Number:
AG002HOB
Chemical Name:
Benzoic acid, 4-[[(1R)-1-methylheptyl]oxy]-, 4-pentylphenyl ester
CAS Number:
188998-77-8
Molecular Formula:
C26H36O3
Molecular Weight:
396.5622
IUPAC Name:
(4-pentylphenyl) 4-[(2R)-octan-2-yl]oxybenzoate
InChI:
InChI=1S/C26H36O3/c1-4-6-8-10-11-21(3)28-24-19-15-23(16-20-24)26(27)29-25-17-13-22(14-18-25)12-9-7-5-2/h13-21H,4-12H2,1-3H3/t21-/m1/s1
InChI Key:
HGGNQGYPVWIEQZ-OAQYLSRUSA-N
SMILES:
CCCCCC[C@H](Oc1ccc(cc1)C(=O)Oc1ccc(cc1)CCCCC)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
396.266g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.571g/mol
Monoisotopic Mass:
396.266g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.