200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 139432-43-2
139432-43-2 | Benzoic acid, hexyl-, heptylphenyl ester (9CI)
CAS No: 139432-43-2 Catalog No: AG001B0I MDL No:
Product Description
Catalog Number:
AG001B0I
Chemical Name:
Benzoic acid, hexyl-, heptylphenyl ester (9CI)
CAS Number:
139432-43-2
Molecular Formula:
C26H36O2
Molecular Weight:
380.5628
IUPAC Name:
(2-heptylphenyl) 2-hexylbenzoate
InChI:
InChI=1S/C26H36O2/c1-3-5-7-9-11-18-23-19-13-15-21-25(23)28-26(27)24-20-14-12-17-22(24)16-10-8-6-4-2/h12-15,17,19-21H,3-11,16,18H2,1-2H3
InChI Key:
XZOYHRWVBJLHKN-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccccc1OC(=O)c1ccccc1CCCCCC
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.272g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.572g/mol
Monoisotopic Mass:
380.272g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.