Name: Name:5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid
Brand: Angene
SKU: AG004W17
Rating: 90 (10 reviews)

5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid

CAS No.:

83817-53-2

Catalog Number:

AG004W17

Molecular Formula:

C9H7NO3S

Molecular Weight:

209.2218

Catalog Number:

AG004W17

Chemical Name:

5-Methyl-3-(2-thienyl)isoxazole-4-carboxylic acid

CAS Number:

83817-53-2

Molecular Formula:

C9H7NO3S

Molecular Weight:

209.2218

MDL Number:

MFCD07376059

IUPAC Name:

5-methyl-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid

InChI:

InChI=1S/C9H7NO3S/c1-5-7(9(11)12)8(10-13-5)6-3-2-4-14-6/h2-4H,1H3,(H,11,12)

InChI Key:

QSTCJVAUTDWHRS-UHFFFAOYSA-N

SMILES:

OC(=O)c1c(C)onc1c1cccs1

EC Number:

280-953-9

Complexity:

236

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

209.015g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

209.219g/mol

Monoisotopic Mass:

209.015g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7