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Methyl 5-Bromo-2-hydroxy-3-propionylbenzoate

Methyl 5-Bromo-2-hydroxy-3-propionylbenzoate - CAS 91099-82-0

Catalog:	BB040044
Product Name:	Methyl 5-Bromo-2-hydroxy-3-propionylbenzoate
CAS:	91099-82-0
Synonyms:	5-bromo-2-hydroxy-3-(1-oxopropyl)benzoic acid methyl ester; methyl 5-bromo-2-hydroxy-3-propanoylbenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-bromo-2-hydroxy-3-propanoylbenzoate
Description:	Methyl 5-Bromo-2-hydroxy-3-propionylbenzoate (CAS# 91099-82-0 ) is a useful research chemical.
Molecular Weight:	287.11
Molecular Formula:	C11H11BrO4
Canonical SMILES:	CCC(=O)C1=CC(=CC(=C1O)C(=O)OC)Br
InChI:	InChI=1S/C11H11BrO4/c1-3-9(13)7-4-6(12)5-8(10(7)14)11(15)16-2/h4-5,14H,3H2,1-2H3
InChI Key:	GTPSIHWNAJWDBU-UHFFFAOYSA-N
LogP:	2.53400

Publication Number	Title	Priority Date
EP-0105484-A2	3-Propionylsalicyclic acid derivatives and process for the preparation of the same	19820930
EP-0105484-B1	3-propionylsalicyclic acid derivatives and process for the preparation of the same	19820930
EP-0107804-A1	3-Methylflavone-8-carboxylic acid derivatives and process for the preparation of the same	19820930
EP-0107804-B1	3-methylflavone-8-carboxylic acid derivatives and process for the preparation of the same	19820930
US-4533732-A	3-Propionylsalicylic acid derivatives and process for the preparation of the same	19820930

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Complexity:	279
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	285.98407
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	285.98407
Rotatable Bond Count:	4
Topological Polar Surface Area:	63.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8