Home Aldehydes 3,4,5-Trimethoxybenzaldehyde dimethyl acetal

3,4,5-Trimethoxybenzaldehyde dimethyl acetal

CAS No.:
59276-37-8
Catalog Number:
AG003IEV
Molecular Formula:
C12H18O5
Molecular Weight:
242.2683
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Product Description
Catalog Number:
AG003IEV
Chemical Name:
3,4,5-Trimethoxybenzaldehyde dimethyl acetal
CAS Number:
59276-37-8
Molecular Formula:
C12H18O5
Molecular Weight:
242.2683
MDL Number:
MFCD01321359
IUPAC Name:
5-(dimethoxymethyl)-1,2,3-trimethoxybenzene
InChI:
InChI=1S/C12H18O5/c1-13-9-6-8(12(16-4)17-5)7-10(14-2)11(9)15-3/h6-7,12H,1-5H3
InChI Key:
PEZMUQHWXSFOIK-UHFFFAOYSA-N
SMILES:
COC(c1cc(OC)c(c(c1)OC)OC)OC
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.115g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.271g/mol
Monoisotopic Mass:
242.115g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties