CAS 15771-06-9 | 4H-Pyran-4-one, 2-(hydroxymethyl)-5-(phenylmethoxy)- | CAS Number 15771-06-9

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15771-06-9 | 4H-Pyran-4-one, 2-(hydroxymethyl)-5-(phenylmethoxy)-

CAS No: 15771-06-9 Catalog No: AG001PO6 MDL No:MFCD01927596

Product Description

Catalog Number:

AG001PO6

Chemical Name:

4H-Pyran-4-one, 2-(hydroxymethyl)-5-(phenylmethoxy)-

CAS Number:

15771-06-9

Molecular Formula:

C13H12O4

Molecular Weight:

232.2320

MDL Number:

MFCD01927596

IUPAC Name:

2-(hydroxymethyl)-5-phenylmethoxypyran-4-one

InChI:

InChI=1S/C13H12O4/c14-7-11-6-12(15)13(9-16-11)17-8-10-4-2-1-3-5-10/h1-6,9,14H,7-8H2

InChI Key:

ZGEXYNBHYVEWKT-UHFFFAOYSA-N

SMILES:

OCc1occ(c(=O)c1)OCc1ccccc1

Properties

Complexity:

337

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

232.235g/mol

Monoisotopic Mass:

232.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
Synthesis, antimicrobial evaluation and QSAR study of some 3-hydroxypyridine-4-one and 3-hydroxypyran-4-one derivatives.	European journal of medicinal chemistry 20090501
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