Home Other Building Blocks Benzenepropanoic acid,3-(1,1-dimethylethyl)-4-hydroxy-,octadecyl ester

Benzenepropanoic acid,3-(1,1-dimethylethyl)-4-hydroxy-,octadecyl ester

CAS No.:
110729-26-5
Catalog Number:
AG003AQB
Molecular Formula:
C31H54O3
Molecular Weight:
474.7587
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Product Description
Catalog Number:
AG003AQB
Chemical Name:
Benzenepropanoic acid,3-(1,1-dimethylethyl)-4-hydroxy-,octadecyl ester
CAS Number:
110729-26-5
Molecular Formula:
C31H54O3
Molecular Weight:
474.7587
IUPAC Name:
octadecyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
InChI:
InChI=1S/C31H54O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-34-30(33)24-22-27-21-23-29(32)28(26-27)31(2,3)4/h21,23,26,32H,5-20,22,24-25H2,1-4H3
InChI Key:
XFBPLFFEZVVMDA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)CCc1ccc(c(c1)C(C)(C)C)O
Properties
Complexity:
482  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.407g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
474.77g/mol
Monoisotopic Mass:
474.407g/mol
Rotatable Bond Count:
22  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.2  
Properties