Name: Name:1H-Pyrrole-2,4-dicarboxylic acid, 3-amino-, 2,4-dimethyl ester
Brand: Angene
SKU: AG0021NR
Rating: 90 (10 reviews)

1H-Pyrrole-2,4-dicarboxylic acid, 3-amino-, 2,4-dimethyl ester

CAS No.:

180059-04-5

Catalog Number:

AG0021NR

Molecular Formula:

C8H10N2O4

Molecular Weight:

198.1760

Catalog Number:

AG0021NR

Chemical Name:

1H-Pyrrole-2,4-dicarboxylic acid, 3-amino-, 2,4-dimethyl ester

CAS Number:

180059-04-5

Molecular Formula:

C8H10N2O4

Molecular Weight:

198.1760

MDL Number:

MFCD10566520

IUPAC Name:

dimethyl 3-amino-1H-pyrrole-2,4-dicarboxylate

InChI:

InChI=1S/C8H10N2O4/c1-13-7(11)4-3-10-6(5(4)9)8(12)14-2/h3,10H,9H2,1-2H3

InChI Key:

VFKYODDQOZLTQL-UHFFFAOYSA-N

SMILES:

COC(=O)c1[nH]cc(c1N)C(=O)OC

Complexity:

244

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.178g/mol

Monoisotopic Mass:

198.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6