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53669-33-3 | 4-Acetoxy-3,5-dimethoxybenzaldehyde
CAS No: 53669-33-3 Catalog No: AG003KMD MDL No:MFCD00016604
Product Description
Catalog Number:
AG003KMD
Chemical Name:
4-Acetoxy-3,5-dimethoxybenzaldehyde
CAS Number:
53669-33-3
Molecular Formula:
C11H12O5
Molecular Weight:
224.2100
MDL Number:
MFCD00016604
IUPAC Name:
(4-formyl-2,6-dimethoxyphenyl) acetate
InChI:
InChI=1S/C11H12O5/c1-7(13)16-11-9(14-2)4-8(6-12)5-10(11)15-3/h4-6H,1-3H3
InChI Key:
CSWKYHGBYCNZAS-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)cc(c1OC(=O)C)OC
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.068g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.212g/mol
Monoisotopic Mass:
224.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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