CAS 14633-22-8 | 5-Isoxazolecarboxylic acid, 3-(1-methylethyl)- | CAS Number 14633-22-8

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14633-22-8 | 5-Isoxazolecarboxylic acid, 3-(1-methylethyl)-

CAS No: 14633-22-8 Catalog No: AG001DX7 MDL No:MFCD05668695

Product Description

Catalog Number:

AG001DX7

Chemical Name:

5-Isoxazolecarboxylic acid, 3-(1-methylethyl)-

CAS Number:

14633-22-8

Molecular Formula:

C7H9NO3

Molecular Weight:

155.1513

MDL Number:

MFCD05668695

IUPAC Name:

3-propan-2-yl-1,2-oxazole-5-carboxylic acid

InChI:

InChI=1S/C7H9NO3/c1-4(2)5-3-6(7(9)10)11-8-5/h3-4H,1-2H3,(H,9,10)

InChI Key:

GYOKWSOCMUDVGN-UHFFFAOYSA-N

SMILES:

CC(c1noc(c1)C(=O)O)C

Properties

Complexity:

158

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

155.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

155.153g/mol

Monoisotopic Mass:

155.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

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