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Home Other Building Blocks 2'-Hydroxy-5'-methoxyacetophenone

2'-Hydroxy-5'-methoxyacetophenone

CAS No.:
705-15-7
Catalog Number:
AG0033CH
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$19
- +
5g
97%
In Stock USA
United States
$47
- +
25g
97%
In Stock USA
United States
$128
- +
100g
97%
In Stock USA
United States
$455
- +
250g
97%
In Stock USA
United States
$932
- +
Product Description
Catalog Number:
AG0033CH
Chemical Name:
2'-Hydroxy-5'-methoxyacetophenone
CAS Number:
705-15-7
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD00008731
IUPAC Name:
1-(2-hydroxy-5-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H10O3/c1-6(10)8-5-7(12-2)3-4-9(8)11/h3-5,11H,1-2H3
InChI Key:
MLIBGOFSXXWRIY-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)C)O
EC Number:
211-882-3
NSC Number:
338218
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Conformational behaviour, hydrogen bond competition and intramolecular dynamics in vanillin derivatives: acetovanillone and 6-hydroxy-3-methoxyacetophenone. Physical chemistry chemical physics : PCCP 20110807
2-(4-Chloro-phen-yl)-6-meth-oxy-chroman-4-one. Acta crystallographica. Section E, Structure reports online 20101001
1-(2-Hydr-oxy-5-methoxy-phen-yl)ethan-1-one N-[(E)-1-(2-hydr-oxy-5-methoxy-phen-yl)ethyl-idene]hydrazone. Acta crystallographica. Section E, Structure reports online 20080101
Properties