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78423-49-1 | Benzaldehyde, 2,4,6-trihydroxy-3-(3-methyl-1-oxobutyl)-
CAS No: 78423-49-1 Catalog No: AG005B5E MDL No:
Product Description
Catalog Number:
AG005B5E
Chemical Name:
Benzaldehyde, 2,4,6-trihydroxy-3-(3-methyl-1-oxobutyl)-
CAS Number:
78423-49-1
Molecular Formula:
C12H14O5
Molecular Weight:
238.2366
IUPAC Name:
2,4,6-trihydroxy-3-(3-methylbutanoyl)benzaldehyde
InChI:
InChI=1S/C12H14O5/c1-6(2)3-9(15)11-10(16)4-8(14)7(5-13)12(11)17/h4-6,14,16-17H,3H2,1-2H3
InChI Key:
MSHCPNLVMAMKFH-UHFFFAOYSA-N
SMILES:
O=Cc1c(O)cc(c(c1O)C(=O)CC(C)C)O
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
238.239g/mol
Monoisotopic Mass:
238.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| One pot synthesis and anticancer activity of dimeric phloroglucinols. | Bioorganic & medicinal chemistry letters 20120315 |
| Antiprotozoal and antimicrobial activities of O-alkylated and formylated acylphloroglucinols. | Bioorganic & medicinal chemistry 20070101 |
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