Name: Name:3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid
Brand: Angene
SKU: AG01A1DH
Rating: 90 (10 reviews)

3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid

CAS No.:

1157546-45-6

Catalog Number:

AG01A1DH

Molecular Formula:

C12H9NO4

Molecular Weight:

231.2042

Catalog Number:

AG01A1DH

Chemical Name:

3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid

CAS Number:

1157546-45-6

Molecular Formula:

C12H9NO4

Molecular Weight:

231.2042

MDL Number:

MFCD12065173

IUPAC Name:

3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid

InChI:

InChI=1S/C12H9NO4/c14-12(15)11-6-9(13-17-11)7-1-2-10-8(5-7)3-4-16-10/h1-2,5-6H,3-4H2,(H,14,15)

InChI Key:

YLZWIRUONYPDCZ-UHFFFAOYSA-N

SMILES:

OC(=O)c1onc(c1)c1ccc2c(c1)CCO2

Complexity:

309

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.207g/mol

Monoisotopic Mass:

231.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9