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178445-86-8

178445-86-8 | Acetic acid, 2-[3-[3-(3,4-dimethoxyphenyl)-1-oxopropyl]phenoxy]-, 1,1-dimethylethyl ester

CAS No: 178445-86-8 Catalog No: AG00262D MDL No:MFCD06245368

Product Description

Catalog Number:
AG00262D
Chemical Name:
Acetic acid, 2-[3-[3-(3,4-dimethoxyphenyl)-1-oxopropyl]phenoxy]-, 1,1-dimethylethyl ester
CAS Number:
178445-86-8
Molecular Formula:
C23H28O6
Molecular Weight:
400.4648
MDL Number:
MFCD06245368
IUPAC Name:
tert-butyl 2-[3-[3-(3,4-dimethoxyphenyl)propanoyl]phenoxy]acetate
InChI:
InChI=1S/C23H28O6/c1-23(2,3)29-22(25)15-28-18-8-6-7-17(14-18)19(24)11-9-16-10-12-20(26-4)21(13-16)27-5/h6-8,10,12-14H,9,11,15H2,1-5H3
InChI Key:
ALZNWMXUAQSCSA-UHFFFAOYSA-N
SMILES:
COc1cc(CCC(=O)c2cccc(c2)OCC(=O)OC(C)(C)C)ccc1OC

Properties

Complexity:
526  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.189g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.471g/mol
Monoisotopic Mass:
400.189g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

Literature

Title Journal
Small-molecule hydrophobic tagging-induced degradation of HaloTag fusion proteins. Nature chemical biology 20110801

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