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Home > Aldehydes > 918814-58-1

918814-58-1

918814-58-1 | Benzaldehyde, 3-acetyl-2,4-dihydroxy-6-(2-propen-1-yloxy)-

CAS No: 918814-58-1 Catalog No: AG006N34 MDL No:

Product Description

Catalog Number:
AG006N34
Chemical Name:
Benzaldehyde, 3-acetyl-2,4-dihydroxy-6-(2-propen-1-yloxy)-
CAS Number:
918814-58-1
Molecular Formula:
C12H12O5
Molecular Weight:
236.2207
IUPAC Name:
3-acetyl-2,4-dihydroxy-6-prop-2-enoxybenzaldehyde
InChI:
InChI=1S/C12H12O5/c1-3-4-17-10-5-9(15)11(7(2)14)12(16)8(10)6-13/h3,5-6,15-16H,1,4H2,2H3
InChI Key:
WSUSDIQGWFYTHW-UHFFFAOYSA-N
SMILES:
C=CCOc1cc(O)c(c(c1C=O)O)C(=O)C

Properties

Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.068g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
236.223g/mol
Monoisotopic Mass:
236.068g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Literature

Title Journal
Antiprotozoal and antimicrobial activities of O-alkylated and formylated acylphloroglucinols. Bioorganic & medicinal chemistry 20070101

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