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Home > Aldehydes > 918814-61-6
918814-61-6 | Benzaldehyde, 3-acetyl-2,4-dihydroxy-6-(3-methylbutoxy)-
CAS No: 918814-61-6 Catalog No: AG006B9P MDL No:
Product Description
Catalog Number:
AG006B9P
Chemical Name:
Benzaldehyde, 3-acetyl-2,4-dihydroxy-6-(3-methylbutoxy)-
CAS Number:
918814-61-6
Molecular Formula:
C14H18O5
Molecular Weight:
266.2897
IUPAC Name:
3-acetyl-2,4-dihydroxy-6-(3-methylbutoxy)benzaldehyde
InChI:
InChI=1S/C14H18O5/c1-8(2)4-5-19-12-6-11(17)13(9(3)16)14(18)10(12)7-15/h6-8,17-18H,4-5H2,1-3H3
InChI Key:
QTFRJZRTZPJEIK-UHFFFAOYSA-N
SMILES:
O=Cc1c(OCCC(C)C)cc(c(c1O)C(=O)C)O
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.293g/mol
Monoisotopic Mass:
266.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Antiprotozoal and antimicrobial activities of O-alkylated and formylated acylphloroglucinols. | Bioorganic & medicinal chemistry 20070101 |
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