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89113-56-4 | Acetic acid, [1-(2,4,6-trimethylphenyl)ethoxy]-, 1,1-dimethylethyl ester
CAS No: 89113-56-4 Catalog No: AG003ZJ4 MDL No:
Product Description
Catalog Number:
AG003ZJ4
Chemical Name:
Acetic acid, [1-(2,4,6-trimethylphenyl)ethoxy]-, 1,1-dimethylethyl ester
CAS Number:
89113-56-4
Molecular Formula:
C17H26O3
Molecular Weight:
278.3865
IUPAC Name:
tert-butyl 2-[1-(2,4,6-trimethylphenyl)ethoxy]acetate
InChI:
InChI=1S/C17H26O3/c1-11-8-12(2)16(13(3)9-11)14(4)19-10-15(18)20-17(5,6)7/h8-9,14H,10H2,1-7H3
InChI Key:
NYILKJKWEIUDDB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)COC(c1c(C)cc(cc1C)C)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.188g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.392g/mol
Monoisotopic Mass:
278.188g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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