Name: Name:3-BROMO-4-HYDROXY-5-METHOXYCINNAMIC ACID
Brand: Angene
SKU: AG003J1X
Rating: 90 (10 reviews)

3-BROMO-4-HYDROXY-5-METHOXYCINNAMIC ACID

CAS No.:

6948-33-0

Catalog Number:

AG003J1X

Molecular Formula:

C10H9BrO4

Molecular Weight:

273.0801

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Purity

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Product Description

Catalog Number:

AG003J1X

Chemical Name:

3-BROMO-4-HYDROXY-5-METHOXYCINNAMIC ACID

CAS Number:

6948-33-0

Molecular Formula:

C10H9BrO4

Molecular Weight:

273.0801

MDL Number:

MFCD00017334

IUPAC Name:

(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid

InChI:

InChI=1S/C10H9BrO4/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,14H,1H3,(H,12,13)/b3-2+

InChI Key:

NGBVBJQUJJKRGF-NSCUHMNNSA-N

SMILES:

COc1cc(/C=C/C(=O)O)cc(c1O)Br

NSC Number:

55760

Properties

Complexity:

254

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

271.968g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

273.082g/mol

Monoisotopic Mass:

271.968g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
New insights into the antioxidant activity of hydroxycinnamic acids: Synthesis and physicochemical characterization of novel halogenated derivatives.	European journal of medicinal chemistry 20090501
Synthesis of trans-caffeate analogues and their bioactivities against HIV-1 integrase and cancer cell lines.	Bioorganic & medicinal chemistry letters 20081215
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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