200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89067-35-6
89067-35-6 | Benzoic acid, 4-[(4-cyanophenyl)methoxy]-, 4-(decyloxy)phenyl ester
CAS No: 89067-35-6 Catalog No: AG0040RZ MDL No:
Product Description
Catalog Number:
AG0040RZ
Chemical Name:
Benzoic acid, 4-[(4-cyanophenyl)methoxy]-, 4-(decyloxy)phenyl ester
CAS Number:
89067-35-6
Molecular Formula:
C31H35NO4
Molecular Weight:
485.6139
IUPAC Name:
(4-decoxyphenyl) 4-[(4-cyanophenyl)methoxy]benzoate
InChI:
InChI=1S/C31H35NO4/c1-2-3-4-5-6-7-8-9-22-34-28-18-20-30(21-19-28)36-31(33)27-14-16-29(17-15-27)35-24-26-12-10-25(23-32)11-13-26/h10-21H,2-9,22,24H2,1H3
InChI Key:
RJKGISNYHSKFCG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1)OC(=O)c1ccc(cc1)OCc1ccc(cc1)C#N
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.257g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
485.624g/mol
Monoisotopic Mass:
485.257g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.