Name: Name:ethyl 2-(1-methyl-1H-pyrazole-4-carbonyloxy)-3-oxobutanoate
Brand: Angene
SKU: AG01ABYE
Rating: 90 (10 reviews)

ethyl 2-(1-methyl-1H-pyrazole-4-carbonyloxy)-3-oxobutanoate

CAS No.:

1803586-82-4

Catalog Number:

AG01ABYE

Molecular Formula:

C11H14N2O5

Molecular Weight:

254.2393

Catalog Number:

AG01ABYE

Chemical Name:

ethyl 2-(1-methyl-1H-pyrazole-4-carbonyloxy)-3-oxobutanoate

CAS Number:

1803586-82-4

Molecular Formula:

C11H14N2O5

Molecular Weight:

254.2393

MDL Number:

MFCD26935984

IUPAC Name:

(1-ethoxy-1,3-dioxobutan-2-yl) 1-methylpyrazole-4-carboxylate

InChI:

InChI=1S/C11H14N2O5/c1-4-17-11(16)9(7(2)14)18-10(15)8-5-12-13(3)6-8/h5-6,9H,4H2,1-3H3

InChI Key:

UIULOIWMTKAEFX-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(C(=O)C)OC(=O)c1cnn(c1)C

Complexity:

344

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.242g/mol

Monoisotopic Mass:

254.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3