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14035-36-0 | 1-Propanone, 1-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-methyl-
CAS No: 14035-36-0 Catalog No: AG001C9B MDL No:
Product Description
Catalog Number:
AG001C9B
Chemical Name:
1-Propanone, 1-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-methyl-
CAS Number:
14035-36-0
Molecular Formula:
C18H28O2
Molecular Weight:
276.4137
IUPAC Name:
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylpropan-1-one
InChI:
InChI=1S/C18H28O2/c1-11(2)15(19)12-9-13(17(3,4)5)16(20)14(10-12)18(6,7)8/h9-11,20H,1-8H3
InChI Key:
JIYZTMSNFPZJGR-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.209g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.42g/mol
Monoisotopic Mass:
276.209g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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