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75169-17-4 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-methoxy-, acetate
CAS No: 75169-17-4 Catalog No: AG005E2H MDL No:
Product Description
Catalog Number:
AG005E2H
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methoxy-, acetate
CAS Number:
75169-17-4
Molecular Formula:
C17H28O4
Molecular Weight:
296.4018
IUPAC Name:
acetic acid;2,6-ditert-butyl-4-methoxyphenol
InChI:
InChI=1S/C15H24O2.C2H4O2/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6;1-2(3)4/h8-9,16H,1-7H3;1H3,(H,3,4)
InChI Key:
ZSRZVQBBRWCNKR-UHFFFAOYSA-N
SMILES:
CC(=O)O.COc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.199g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.407g/mol
Monoisotopic Mass:
296.199g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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