7-Methoxycoumarin-4-acetic acid

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7-Methoxycoumarin-4-acetic acid

7-Methoxycoumarin-4-acetic acid | 62935-72-2

Catalog Number F06-0004
Category Coumarin
Molecular Formula C12H10O5
Molecular Weight 234.20
Catalog Number Size Price Quantity

Product Introduction

Key intermidiate for the synthesis of fluorescence probes in chromatographic detection. Shows local anesthetic activity.

Chemical Information

Synonyms 7-Methoxy-2-oxo-2H-1-benzopyran-4-acetic acid; Mca-OH; 2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetic acid; 2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetic acid; 2H-1-Benzopyran-4-acetic acid, 7-methoxy-2-oxo-; Mca-OH
Purity ≥ 98% (HPLC)
IUPAC Name 2-(7-methoxy-2-oxochromen-4-yl)acetic acid
Canonical SMILES COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)O
InChI InChI=1S/C12H10O5/c1-16-8-2-3-9-7(4-11(13)14)5-12(15)17-10(9)6-8/h2-3,5-6H,4H2,1H3,(H,13,14)
InChI Key ZEKAXIFHLIITGV-UHFFFAOYSA-N
Solubility Slightly soluble in Acetone, DMSO, Methanol
Density 1.367±0.06 g/cm3 (Predicted)
Appearance Off-white to light yellow powder
Boiling Point 472.9±45.0 °C (Predicted)
Melting Point 185-195 °C
  • Product Specification
Excitation 323
Emission 382
Storage Store at 2-8 °C
Signal Warning
GHS Hazard Statements H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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

Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 234.05282342 g/mol
Monoisotopic Mass 234.05282342 g/mol
Topological Polar Surface Area 72.8Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 360
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
21695046 2011-01-01 Substrate specifity profiling of the Aspergillus fumigatus proteolytic secretome reveals consensus motifs with predominance of Ile/Leu and Phe/Tyr PloS one
21931748 2011-01-01 Unique residues involved in activation of the multitasking protease/chaperone HtrA from Chlamydia trachomatis PloS one
19674479 2009-08-13 Multiple functions of precursor BDNF to CNS neurons: negative regulation of neurite growth, spine formation and cell survival Molecular brain
18260641 2008-03-04 Small changes in the primary structure of transportan 10 alter the thermodynamics and kinetics of its interaction with phospholipid vesicles Biochemistry
15642138 2005-01-01 Local expression of matrix metalloproteinases, cathepsins, and their inhibitors during the development of murine antigen-induced arthritis Arthritis research & therapy

Patents

Publication NumberTitlePriority Date
CN-113999290-A A kind of high stability leuprolide acetate and application thereof 2021-12-29
CN-113999290-B A kind of stable leuprolide acetate and application thereof 2021-12-29
CN-113699212-A Method and screening model for screening new coronavirus main protease small-molecule inhibitor 2021-07-01
US-2022315614-A1 Reducing agents and uses thereof 2021-03-19
US-2022308043-A1 Fluorescent probes for identification and quantification of hepatic transporters in vitro and in vivo 2021-03-16
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