Name: Name:3-Isoxazolecarboxylic acid, 5-[4-(1-methylethyl)phenyl]-, methyl ester
Brand: Angene
SKU: AG0013F4
Rating: 90 (10 reviews)

3-Isoxazolecarboxylic acid, 5-[4-(1-methylethyl)phenyl]-, methyl ester

CAS No.:

1375064-54-2

Catalog Number:

AG0013F4

Molecular Formula:

C14H15NO3

Molecular Weight:

245.2738

Catalog Number:

AG0013F4

Chemical Name:

3-Isoxazolecarboxylic acid, 5-[4-(1-methylethyl)phenyl]-, methyl ester

CAS Number:

1375064-54-2

Molecular Formula:

C14H15NO3

Molecular Weight:

245.2738

MDL Number:

MFCD22192329

IUPAC Name:

methyl 5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylate

InChI:

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

InChI Key:

HWLJIBJSSAAPAJ-UHFFFAOYSA-N

SMILES:

COC(=O)c1noc(c1)c1ccc(cc1)C(C)C

Complexity:

285

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:

52.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3