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Home > Aldehydes > 854656-95-4
854656-95-4 | 1,3-Benzenedicarboxaldehyde, 2,4,6-trihydroxy-5-methyl-
CAS No: 854656-95-4 Catalog No: AG004JU3 MDL No:
Product Description
Catalog Number:
AG004JU3
Chemical Name:
1,3-Benzenedicarboxaldehyde, 2,4,6-trihydroxy-5-methyl-
CAS Number:
854656-95-4
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
IUPAC Name:
2,4,6-trihydroxy-5-methylbenzene-1,3-dicarbaldehyde
InChI:
InChI=1S/C9H8O5/c1-4-7(12)5(2-10)9(14)6(3-11)8(4)13/h2-3,12-14H,1H3
InChI Key:
OHHGMFYKHOCZJZ-UHFFFAOYSA-N
SMILES:
O=Cc1c(O)c(C=O)c(c(c1O)C)O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.037g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
196.158g/mol
Monoisotopic Mass:
196.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Antiprotozoal and antimicrobial activities of O-alkylated and formylated acylphloroglucinols. | Bioorganic & medicinal chemistry 20070101 |
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