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71804-46-1 | 1,4-Benzenedicarboxaldehyde, 2,5-dimethoxy-3,6-dimethyl-
CAS No: 71804-46-1 Catalog No: AG005FGQ MDL No:
Product Description
Catalog Number:
AG005FGQ
Chemical Name:
1,4-Benzenedicarboxaldehyde, 2,5-dimethoxy-3,6-dimethyl-
CAS Number:
71804-46-1
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
2,5-dimethoxy-3,6-dimethylterephthalaldehyde
InChI:
InChI=1S/C12H14O4/c1-7-9(5-13)12(16-4)8(2)10(6-14)11(7)15-3/h5-6H,1-4H3
InChI Key:
YDYAPAOCHRTTRY-UHFFFAOYSA-N
SMILES:
COc1c(C)c(C=O)c(c(c1C=O)C)OC
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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