200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 156490-83-4
156490-83-4 | Benzoic acid, 4-benzoyl-, 12-[4-(1-hydroxyethyl)phenoxy]dodecyl ester
CAS No: 156490-83-4 Catalog No: AG001OR1 MDL No:
Product Description
Catalog Number:
AG001OR1
Chemical Name:
Benzoic acid, 4-benzoyl-, 12-[4-(1-hydroxyethyl)phenoxy]dodecyl ester
CAS Number:
156490-83-4
Molecular Formula:
C34H42O5
Molecular Weight:
530.6943
IUPAC Name:
12-[4-(1-hydroxyethyl)phenoxy]dodecyl 4-benzoylbenzoate
InChI:
InChI=1S/C34H42O5/c1-27(35)28-21-23-32(24-22-28)38-25-13-8-6-4-2-3-5-7-9-14-26-39-34(37)31-19-17-30(18-20-31)33(36)29-15-11-10-12-16-29/h10-12,15-24,27,35H,2-9,13-14,25-26H2,1H3
InChI Key:
CERMMWDVVSXZED-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)OCCCCCCCCCCCCOC(=O)c1ccc(cc1)C(=O)c1ccccc1)O
Properties
Complexity:
657
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.303g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
530.705g/mol
Monoisotopic Mass:
530.303g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.