CAS 31005-04-6 | 2H-1-Benzopyran-2-one, 7-(phenylmethoxy)- | CAS Number 31005-04-6

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31005-04-6 | 2H-1-Benzopyran-2-one, 7-(phenylmethoxy)-

CAS No: 31005-04-6 Catalog No: AG0031XJ MDL No:

Product Description

Catalog Number:

AG0031XJ

Chemical Name:

2H-1-Benzopyran-2-one, 7-(phenylmethoxy)-

CAS Number:

31005-04-6

Molecular Formula:

C16H12O3

Molecular Weight:

252.2647

IUPAC Name:

7-phenylmethoxychromen-2-one

InChI:

InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2

InChI Key:

QDLFCBKKECTJSK-UHFFFAOYSA-N

SMILES:

O=c1ccc2c(o1)cc(cc2)OCc1ccccc1

Properties

Complexity:

344

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.269g/mol

Monoisotopic Mass:

252.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
Versatility of 7-Substituted Coumarin Molecules as Antimycobacterial Agents, Neuronal Enzyme Inhibitors and Neuroprotective Agents.	Molecules (Basel, Switzerland) 20171001
Synthesis and antioxidant activities of novel 4-Schiff base-7-benzyloxy-coumarin derivatives.	Bioorganic & medicinal chemistry letters 20111115
Pancreatic anticancer activity of a novel geranylgeranylated coumarin derivative.	Bioorganic & medicinal chemistry letters 20111001
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Deciphering the mechanism of carbonic anhydrase inhibition with coumarins and thiocoumarins.	Journal of medicinal chemistry 20100114
Impact of species-dependent differences on screening, design, and development of MAO B inhibitors.	Journal of medicinal chemistry 20061019
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