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126739-17-1 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethynyl-, 1-acetate
CAS No: 126739-17-1 Catalog No: AG000T5L MDL No:
Product Description
Catalog Number:
AG000T5L
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethynyl-, 1-acetate
CAS Number:
126739-17-1
Molecular Formula:
C18H24O2
Molecular Weight:
272.3820
IUPAC Name:
acetic acid;2,6-ditert-butyl-4-ethynylphenol
InChI:
InChI=1S/C16H22O.C2H4O2/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7;1-2(3)4/h1,9-10,17H,2-7H3;1H3,(H,3,4)
InChI Key:
TWZLGMBZZRFSAC-UHFFFAOYSA-N
SMILES:
C#Cc1cc(c(c(c1)C(C)(C)C)OC(=O)C)C(C)(C)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.188g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.403g/mol
Monoisotopic Mass:
290.188g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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