Home Aldehydes 3,4-Diacetoxybenzaldehyde

3,4-Diacetoxybenzaldehyde

CAS No.:
67727-64-4
Catalog Number:
AG003IFF
Molecular Formula:
C11H10O5
Molecular Weight:
222.1941
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Product Description
Catalog Number:
AG003IFF
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
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  
Properties