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14035-33-7 | Ethanone, 1-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-
CAS No: 14035-33-7 Catalog No: AG001C9C MDL No:MFCD00017520
Product Description
Catalog Number:
AG001C9C
Chemical Name:
Ethanone, 1-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-
CAS Number:
14035-33-7
Molecular Formula:
C16H24O2
Molecular Weight:
248.3606
MDL Number:
MFCD00017520
IUPAC Name:
1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
InChI:
InChI=1S/C16H24O2/c1-10(17)11-8-12(15(2,3)4)14(18)13(9-11)16(5,6)7/h8-9,18H,1-7H3
InChI Key:
WGJPGMJLARWHRK-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.366g/mol
Monoisotopic Mass:
248.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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