Name: Name:1-tert-butyl 3-methyl 2-methyl-1H-pyrrole-1,3-dicarboxylate
Brand: Angene
SKU: AG01AV3U
Rating: 90 (10 reviews)

1-tert-butyl 3-methyl 2-methyl-1H-pyrrole-1,3-dicarboxylate

CAS No.:

1803588-85-3

Catalog Number:

AG01AV3U

Molecular Formula:

C12H17NO4

Molecular Weight:

239.2677

Catalog Number:

AG01AV3U

Chemical Name:

1-tert-butyl 3-methyl 2-methyl-1H-pyrrole-1,3-dicarboxylate

CAS Number:

1803588-85-3

Molecular Formula:

C12H17NO4

Molecular Weight:

239.2677

MDL Number:

MFCD28348010

IUPAC Name:

1-O-tert-butyl 3-O-methyl 2-methylpyrrole-1,3-dicarboxylate

InChI:

InChI=1S/C12H17NO4/c1-8-9(10(14)16-5)6-7-13(8)11(15)17-12(2,3)4/h6-7H,1-5H3

InChI Key:

DUDXRAPBAYJABL-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccn(c1C)C(=O)OC(C)(C)C

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.271g/mol

Monoisotopic Mass:

239.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2