7-Hydroxycoumarin-3-carboxylic acid

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7-Hydroxycoumarin-3-carboxylic acid

7-Hydroxycoumarin-3-carboxylic acid | 779-27-1

Catelog Number F05-0014
Category Coumarin
Molecular Formula C10H6O5
Molecular Weight 206.15
Catalog Number Size Price Quantity
F05-0014 1 g $439
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Product Introduction

7-Hydroxycoumarin-3-carboxylic acid is a none-activated, amine-reactive pH indicator.

Chemical Information
Synonyms Umbelliferone-3-carboxylic acid
Purity >98.0%(HPLC)
IUPAC Name 7-hydroxy-2-oxochromene-3-carboxylic acid
Canonical SMILES C1=CC2=C(C=C1O)OC(=O)C(=C2)C(=O)O
InChI InChI=1S/C10H6O5/c11-6-2-1-5-3-7(9(12)13)10(14)15-8(5)4-6/h1-4,11H,(H,12,13)
InChI Key LKLWLDOUZJEHDY-UHFFFAOYSA-N
Appearance Beige Crystalline
Melting Point 263 °C
MDL Number MFCD00017491

Product Specification
Condition To Avoid Light Sensitive,Heat Sensitive
Storage <0 °C
Signal Warning
GHS Hazard Statements H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)

Computed Properties
XLogP3 1.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 206.02152329 g/mol
Monoisotopic Mass 206.02152329 g/mol
Topological Polar Surface Area 83.8Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 333
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

Literatures

PMIDPublication DateTitleJournal
22392808 2012-07-01 Fluorescent assay for directed evolution of perhydrolases Journal of biomolecular screening
22500730 2012-07-01 Mechanism of radiation-induced reactions in aqueous solution of coumarin-3-carboxylic acid: effects of concentration, gas and additive on fluorescent product yield Free radical research
22276179 2012-01-01 TiO2 nanoparticles are phototoxic to marine phytoplankton PloS one
19877615 2009-11-25 Photoactive yellow protein-based protein labeling system with turn-on fluorescence intensity Journal of the American Chemical Society
17828251 2007-10-01 Expanding the promiscuity of a natural-product glycosyltransferase by directed evolution Nature chemical biology

Patents

Publication NumberTitlePriority Date
CN-114621752-A A room temperature phosphorescent water-based polymer anti-counterfeiting material and its preparation method and application 2021-12-03
CN-114621752-B A room temperature phosphorescent water-based polymer anti-counterfeiting material and its preparation method and application 2021-12-03
CN-113774021-A A kind of preparation method of biomaterial scaffold containing mesenchymal stem cell spheres 2021-08-25
WO-2022241110-A1 Coronavirus t cell epitopes, megapools and uses thereof 2021-05-13
CN-113200988-B Synthesis and application of bifunctional fluorescent probe for simultaneously detecting hydroxyl free radicals and viscosity 2021-05-11

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