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17831-67-3

17831-67-3 | Benzoic acid, 4-(1,1-dimethylethyl)-, 1,1'-(1,3-phenylene) ester

CAS No: 17831-67-3 Catalog No: AG0025XL MDL No:

Product Description

Catalog Number:
AG0025XL
Chemical Name:
Benzoic acid, 4-(1,1-dimethylethyl)-, 1,1'-(1,3-phenylene) ester
CAS Number:
17831-67-3
IUPAC Name:
[3-(4-tert-butylbenzoyl)oxyphenyl] 4-tert-butylbenzoate
InChI:
InChI=1S/C28H30O4/c1-27(2,3)21-14-10-19(11-15-21)25(29)31-23-8-7-9-24(18-23)32-26(30)20-12-16-22(17-13-20)28(4,5)6/h7-18H,1-6H3
InChI Key:
AFAZGSWKIZVRSR-UHFFFAOYSA-N
EC Number:
241-788-8

Properties

Complexity:
571  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.214g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.544g/mol
Monoisotopic Mass:
430.214g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1  

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