Name: Name:1H-Pyrrole-2,4-dicarboxylicacid,3-ethyl-5-methyl-,diethylester(9CI)
Brand: Angene
SKU: AG00FSBR
Rating: 90 (10 reviews)

1H-Pyrrole-2,4-dicarboxylicacid,3-ethyl-5-methyl-,diethylester(9CI)

CAS No.:

66414-04-8

Catalog Number:

AG00FSBR

Molecular Formula:

C13H19NO4

Molecular Weight:

253.2943

Catalog Number:

AG00FSBR

Chemical Name:

1H-Pyrrole-2,4-dicarboxylicacid,3-ethyl-5-methyl-,diethylester(9CI)

CAS Number:

66414-04-8

Molecular Formula:

C13H19NO4

Molecular Weight:

253.2943

MDL Number:

MFCD00030394

IUPAC Name:

diethyl 3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylate

InChI:

InChI=1S/C13H19NO4/c1-5-9-10(12(15)17-6-2)8(4)14-11(9)13(16)18-7-3/h14H,5-7H2,1-4H3

InChI Key:

SFMDBZMSVLCBIB-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1[nH]c(c(c1CC)C(=O)OCC)C

Complexity:

305

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.298g/mol

Monoisotopic Mass:

253.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7