CAS 24963-28-8 | 2(3H)-Benzoxazolone, 3-acetyl- | CAS Number 24963-28-8

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24963-28-8 | 2(3H)-Benzoxazolone, 3-acetyl-

CAS No: 24963-28-8 Catalog No: AG002Q04 MDL No:MFCD00092623

Product Description

Catalog Number:

AG002Q04

Chemical Name:

2(3H)-Benzoxazolone, 3-acetyl-

CAS Number:

24963-28-8

Molecular Formula:

C9H7NO3

Molecular Weight:

177.1568

MDL Number:

MFCD00092623

IUPAC Name:

3-acetyl-1,3-benzoxazol-2-one

InChI:

InChI=1S/C9H7NO3/c1-6(11)10-7-4-2-3-5-8(7)13-9(10)12/h2-5H,1H3

InChI Key:

KIIQPJPWSJBTGN-UHFFFAOYSA-N

SMILES:

CC(=O)n1c(=O)oc2c1cccc2

Properties

Complexity:

251

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.159g/mol

Monoisotopic Mass:

177.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Design of benzimidazole- and benzoxazole-2-thione derivatives as inhibitors of bacterial hyaluronan lyase.	European journal of medicinal chemistry 20110901
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