Name: Name:5-(tert-butyl)-3-phenylisoxazole-4-carboxylic acid
Brand: Angene
SKU: AG01E228
Rating: 90 (10 reviews)

5-(tert-butyl)-3-phenylisoxazole-4-carboxylic acid

CAS No.:

858490-11-6

Catalog Number:

AG01E228

Molecular Formula:

C14H15NO3

Molecular Weight:

245.2738

Catalog Number:

AG01E228

Chemical Name:

5-(tert-butyl)-3-phenylisoxazole-4-carboxylic acid

CAS Number:

858490-11-6

Molecular Formula:

C14H15NO3

Molecular Weight:

245.2738

MDL Number:

MFCD19092990

IUPAC Name:

5-tert-butyl-3-phenyl-1,2-oxazole-4-carboxylic acid

InChI:

InChI=1S/C14H15NO3/c1-14(2,3)12-10(13(16)17)11(15-18-12)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,16,17)

InChI Key:

LKAMSFDMBYTIHM-UHFFFAOYSA-N

SMILES:

OC(=O)c1c(noc1C(C)(C)C)c1ccccc1

Complexity:

305

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.278g/mol

Monoisotopic Mass:

245.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3