4-Hydroxy-2,3,6-trimethoxy-5H-benzo[7]annulen-5-one - CAS 15795-64-9
Catalog: |
BB060878 |
Product Name: |
4-Hydroxy-2,3,6-trimethoxy-5H-benzo[7]annulen-5-one |
CAS: |
15795-64-9 |
Synonyms: |
4-Hydroxy-2,3,6-trimethoxy-5H-benzocyclohepten-5-one |
IUPAC Name: | 4-hydroxy-2,3,6-trimethoxybenzo[7]annulen-5-one |
Description: | 4-Hydroxy-2,3,6-trimethoxy-5H-benzo[7]annulen-5-one is a useful research chemical used as a reactant in the preparation of antimalarial oxazines. |
Molecular Weight: | 262.25 |
Molecular Formula: | C14H14O5 |
Canonical SMILES: | COC1=CC=CC2=CC(=C(C(=C2C1=O)O)OC)OC |
InChI: | InChI=1S/C14H14O5/c1-17-9-6-4-5-8-7-10(18-2)14(19-3)13(16)11(8)12(9)15/h4-7,16H,1-3H3 |
InChI Key: | XTJAFDFIRGFIHA-UHFFFAOYSA-N |
References: | Ren, H., et al. Bioorganic Med. Chem. Lett. 11, 14, 1851-54, (2001). |
Complexity: | 401 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.08412354 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.08412354 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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