CAS 16304-70-4 | 2(3H)-Furanone, dihydro-4-(4-methylbenzoyl)- | CAS Number 16304-70-4

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16304-70-4 | 2(3H)-Furanone, dihydro-4-(4-methylbenzoyl)-

CAS No: 16304-70-4 Catalog No: AG001TNH MDL No:

Product Description

Catalog Number:

AG001TNH

Chemical Name:

2(3H)-Furanone, dihydro-4-(4-methylbenzoyl)-

CAS Number:

16304-70-4

Molecular Formula:

C12H12O3

Molecular Weight:

204.2219

IUPAC Name:

4-(4-methylbenzoyl)oxolan-2-one

InChI:

InChI=1S/C12H12O3/c1-8-2-4-9(5-3-8)12(14)10-6-11(13)15-7-10/h2-5,10H,6-7H2,1H3

InChI Key:

QOYFWHVGLNPLEG-UHFFFAOYSA-N

SMILES:

O=C1OCC(C1)C(=O)c1ccc(cc1)C

Properties

Complexity:

264

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.225g/mol

Monoisotopic Mass:

204.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
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