Name: Name:3-Isoxazolecarboxylicacid, 2,5-dihydro-4-methyl-5-oxo-, ethyl ester
Brand: Angene
SKU: AG008INH
Rating: 90 (10 reviews)

3-Isoxazolecarboxylicacid, 2,5-dihydro-4-methyl-5-oxo-, ethyl ester

CAS No.:

84280-59-1

Catalog Number:

AG008INH

Molecular Formula:

C7H9NO4

Molecular Weight:

171.1507

Catalog Number:

AG008INH

Chemical Name:

3-Isoxazolecarboxylicacid, 2,5-dihydro-4-methyl-5-oxo-, ethyl ester

CAS Number:

84280-59-1

Molecular Formula:

C7H9NO4

Molecular Weight:

171.1507

MDL Number:

MFCD19443436

IUPAC Name:

ethyl 4-methyl-5-oxo-2H-1,2-oxazole-3-carboxylate

InChI:

InChI=1S/C7H9NO4/c1-3-11-7(10)5-4(2)6(9)12-8-5/h8H,3H2,1-2H3

InChI Key:

NQHGATLLVCDBQN-UHFFFAOYSA-N

SMILES:

Cc1c(C(=O)OCC)[nH]oc1=O

NSC Number:

23411

Complexity:

256

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

171.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

171.152g/mol

Monoisotopic Mass:

171.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1