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4-Hydroxy-2,3,6-trimethoxy-5H-benzo[7]annulen-5-one

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

Technical Data

Computed Properties

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).

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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:	65Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3