Home Aldehydes 67727-64-4
67727-64-4,MFCD00143057
Catalog No.:AA003ICN
67727-64-4 | 3,4-Diacetoxybenzaldehyde
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5g
>98.0%(GC)
1 week  
$162.00   $113.00
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25g
>98.0%(GC)
1 week  
$449.00   $314.00
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Technical Information
Catalog Number:
AA003ICN
Chemical Name:
3,4-Diacetoxybenzaldehyde
CAS Number:
67727-64-4
Molecular Formula:
C11H10O5
Molecular Weight:
222.1941
MDL Number:
MFCD00143057
IUPAC Name:
(2-acetyloxy-4-formylphenyl) acetate
InChI:
InChI=1S/C11H10O5/c1-7(13)15-10-4-3-9(6-12)5-11(10)16-8(2)14/h3-6H,1-2H3
InChI Key:
WYHMNJKAVNPOOR-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)OC(=O)C)OC(=O)C
Properties
Computed Properties
 
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.053g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.196g/mol
Monoisotopic Mass:
222.053g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
3,4-Diacetoxybenzaldehyde 
67727-64-4 
DTXSID80363988 
WYHMNJKAVNPOOR-UHFFFAOYSA-N 
KS-000015HR 
ZINC1440527 
4-formylbenzene-1,2-diyl diacetate 
ANW-35395 
MFCD00143057 
STK663891 
(2-acetyloxy-4-formylphenyl) acetate 
AKOS016846171 
4-Formyl-1,2-phenylene diacetate 
MCULE-3102224559 
VZ25456 
AJ-26104 
CC-13055 
CJ-23523 
(2-acetyloxy-4-methanoyl-phenyl) ethanoate 
AX8012979 
DB-021838 
TC-124140 
D2042 
Benzaldehyde, 3,4-bis(acetyloxy)- 
FT-0641135 
acetic acid (2-acetyloxy-4-formylphenyl) ester 
A835864 
C-12360 
A3247/0137959 
ZINC01440527 
CID1517488 
AC1LTZIW 
AC1Q1LAR 
ACMC-209o0l 
ghl.PD_Mitscher_leg0.727 
SCHEMBL320559 
CTK1J3022 
Literature
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