Name: Name:5-(4-Isopropylphenyl)isoxazole-3-carboxylic acid
Brand: Angene
SKU: AG003M63
Rating: 90 (10 reviews)

5-(4-Isopropylphenyl)isoxazole-3-carboxylic acid

CAS No.:

33282-10-9

Catalog Number:

AG003M63

Molecular Formula:

C13H13NO3

Molecular Weight:

231.2472

Catalog Number:

AG003M63

Chemical Name:

5-(4-Isopropylphenyl)isoxazole-3-carboxylic acid

CAS Number:

33282-10-9

Molecular Formula:

C13H13NO3

Molecular Weight:

231.2472

MDL Number:

MFCD07377124

IUPAC Name:

5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid

InChI:

InChI=1S/C13H13NO3/c1-8(2)9-3-5-10(6-4-9)12-7-11(13(15)16)14-17-12/h3-8H,1-2H3,(H,15,16)

InChI Key:

UERITGBANMVLAF-UHFFFAOYSA-N

SMILES:

CC(c1ccc(cc1)c1onc(c1)C(=O)O)C

Complexity:

272

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.251g/mol

Monoisotopic Mass:

231.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1