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1198-66-9 | Ethanone, 1-(2-hydroxy-3,5-dimethylphenyl)-
CAS No: 1198-66-9 Catalog No: AG000POQ MDL No:MFCD01631133
Product Description
Catalog Number:
AG000POQ
Chemical Name:
Ethanone, 1-(2-hydroxy-3,5-dimethylphenyl)-
CAS Number:
1198-66-9
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD01631133
IUPAC Name:
1-(2-hydroxy-3,5-dimethylphenyl)ethanone
InChI:
InChI=1S/C10H12O2/c1-6-4-7(2)10(12)9(5-6)8(3)11/h4-5,12H,1-3H3
InChI Key:
KBXDUOVVDZNQDY-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C(=O)C)O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| N-[(S)-1-(3,5-Dimethyl-2-hydroxy-phenyl)-ethyl]-N-[(R)-2-hydr-oxy-1-phenyl-ethyl]ammonium chloride. | Acta crystallographica. Section E, Structure reports online 20080101 |
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