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Home > Aldehydes > 179693-85-7
179693-85-7 | 2,3-Dimethoxy-1,4-benzenedicarboxaldehyde
CAS No: 179693-85-7 Catalog No: AG003AT8 MDL No:
Product Description
Catalog Number:
AG003AT8
Chemical Name:
2,3-Dimethoxy-1,4-benzenedicarboxaldehyde
CAS Number:
179693-85-7
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
IUPAC Name:
2,3-dimethoxyterephthalaldehyde
InChI:
InChI=1S/C10H10O4/c1-13-9-7(5-11)3-4-8(6-12)10(9)14-2/h3-6H,1-2H3
InChI Key:
WAHBFHUZSTXBMP-UHFFFAOYSA-N
SMILES:
COc1c(C=O)ccc(c1OC)C=O
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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