Home Other Building Blocks 3',5'-Dimethyl-2'-hydroxyacetophenone

3',5'-Dimethyl-2'-hydroxyacetophenone

CAS No.:
1198-66-9
Catalog Number:
AG000POQ
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$55
- +
5g
98%
1 week
United States
$80
- +
25g
98%
1 week
United States
$164
- +
100g
98%
1 week
United States
$417
- +
Product Description
Catalog Number:
AG000POQ
Chemical Name:
3',5'-Dimethyl-2'-hydroxyacetophenone
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
Properties