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96573-29-4 | Benzaldehyde, 2,4,6-trihydroxy-3-(1-oxopropyl)-
CAS No: 96573-29-4 Catalog No: AG005TNK MDL No:
Product Description
Catalog Number:
AG005TNK
Chemical Name:
Benzaldehyde, 2,4,6-trihydroxy-3-(1-oxopropyl)-
CAS Number:
96573-29-4
Molecular Formula:
C10H10O5
Molecular Weight:
210.1834
IUPAC Name:
2,4,6-trihydroxy-3-propanoylbenzaldehyde
InChI:
InChI=1S/C10H10O5/c1-2-6(12)9-8(14)3-7(13)5(4-11)10(9)15/h3-4,13-15H,2H2,1H3
InChI Key:
MDTQTMLLISVOEL-UHFFFAOYSA-N
SMILES:
CCC(=O)c1c(O)cc(c(c1O)C=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
210.185g/mol
Monoisotopic Mass:
210.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Antiprotozoal and antimicrobial activities of O-alkylated and formylated acylphloroglucinols. | Bioorganic & medicinal chemistry 20070101 |
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