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35086-59-0,MFCD00008702
Catalog No.:AA003IHQ
35086-59-0 | 3',5'-Diacetoxyacetophenone
Pack Size
Purity
Availability
Price(USD)
Quantity
  
10g
>98.0%(GC)
1 week  
$56.00   $39.00
- +
25g
>98.0%(GC)
1 week  
$108.00   $75.00
- +
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Technical Information
Catalog Number:
AA003IHQ
Chemical Name:
3',5'-Diacetoxyacetophenone
CAS Number:
35086-59-0
Molecular Formula:
C12H12O5
Molecular Weight:
236.2207
MDL Number:
MFCD00008702
IUPAC Name:
(3-acetyl-5-acetyloxyphenyl) acetate
InChI:
InChI=1S/C12H12O5/c1-7(13)10-4-11(16-8(2)14)6-12(5-10)17-9(3)15/h4-6H,1-3H3
InChI Key:
QODJHYBESCIPOG-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(OC(=O)C)cc(c1)C(=O)C
EC Number:
252-354-2
Properties
Computed Properties
 
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.068g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.223g/mol
Monoisotopic Mass:
236.068g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
3',5'-Diacetoxyacetophenone 
35086-59-0 
3-acetyl-5-acetyloxyphenyl acetate 
EINECS 252-354-2 
PubChem3387 
ACMC-209icu 
AC1LEL58 
3,5-Diacetoxy Acetophenone 
SCHEMBL414964 
CTK1C6153 
ZINC56415 
DTXSID90188583 
5-Acetyl-1,3-phenylene diacetate 
BCP12409 
KS-000012YW 
ZX-AT018213 
ANW-28060 
MFCD00008702 
OR4947 
SBB056575 
AKOS015837946 
AS-9407 
MCULE-6860124391 
3,5-Diacetoxyacetophenone 
VZ25269 
ACM35086590 
1-[3,5-Bis(acetyloxy)phenyl]-ethanone 
AC-14655 
AJ-09248 
CC-13402 
SC-46611 
ZB001626 
(3-acetyloxy-5-ethanoyl-phenyl) ethanoate 
AX8082354 
Ethanone, 1-[3,5-bis(acetyloxy)phenyl]- 
TR-014468 
D1978 
FT-0614486 
ST50307302 
acetic acid (3-acetyl-5-acetyloxyphenyl) ester 
A822525 
C-13974 
3/',5/'-Diacetoxyacetophenone 
C12H12O5 
CID688015 
3',5'-Diacetyloxyacetophenone 
ZINC00056415 
C12-H12-O5 
QODJHYBESCIPOG-UHFFFAOYSA-N 
(3-acetyl-5-acetyloxyphenyl) acetate 
3-acetyl-5-(acetyloxy)phenyl acetate 
W-110854 
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