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140660-31-7 | Ethanone, 1-[5-(1,1-dimethylethyl)-2,4-dihydroxyphenyl]-
CAS No: 140660-31-7 Catalog No: AG001CNY MDL No:
Product Description
Catalog Number:
AG001CNY
Chemical Name:
Ethanone, 1-[5-(1,1-dimethylethyl)-2,4-dihydroxyphenyl]-
CAS Number:
140660-31-7
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
1-(5-tert-butyl-2,4-dihydroxyphenyl)ethanone
InChI:
InChI=1S/C12H16O3/c1-7(13)8-5-9(12(2,3)4)11(15)6-10(8)14/h5-6,14-15H,1-4H3
InChI Key:
QDDBVZBZUZGBKH-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(c(cc1O)O)C(C)(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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