Name: Name:1-(2-ethoxy-2-oxoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Brand: Angene
SKU: AG01A0YT
Rating: 90 (10 reviews)

1-(2-ethoxy-2-oxoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

CAS No.:

1183616-12-7

Catalog Number:

AG01A0YT

Molecular Formula:

C11H15NO4

Molecular Weight:

225.2411

Catalog Number:

AG01A0YT

Chemical Name:

1-(2-ethoxy-2-oxoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

CAS Number:

1183616-12-7

Molecular Formula:

C11H15NO4

Molecular Weight:

225.2411

MDL Number:

MFCD12157282

IUPAC Name:

1-(2-ethoxy-2-oxoethyl)-2,5-dimethylpyrrole-3-carboxylic acid

InChI:

InChI=1S/C11H15NO4/c1-4-16-10(13)6-12-7(2)5-9(8(12)3)11(14)15/h5H,4,6H2,1-3H3,(H,14,15)

InChI Key:

KGIYUGUJTXUTRB-UHFFFAOYSA-N

SMILES:

CCOC(=O)Cn1c(C)cc(c1C)C(=O)O

Complexity:

279

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.244g/mol

Monoisotopic Mass:

225.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4