Name: Name:1H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-1-(2-thienylmethyl)-
Brand: Angene
SKU: AG0030WZ
Rating: 90 (10 reviews)

1H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-1-(2-thienylmethyl)-

CAS No.:

306936-14-1

Catalog Number:

AG0030WZ

Molecular Formula:

C12H13NO2S

Molecular Weight:

235.3021

Catalog Number:

AG0030WZ

Chemical Name:

1H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-1-(2-thienylmethyl)-

CAS Number:

306936-14-1

Molecular Formula:

C12H13NO2S

Molecular Weight:

235.3021

MDL Number:

MFCD01567217

IUPAC Name:

2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylic acid

InChI:

InChI=1S/C12H13NO2S/c1-8-6-11(12(14)15)9(2)13(8)7-10-4-3-5-16-10/h3-6H,7H2,1-2H3,(H,14,15)

InChI Key:

MYRBXKXOHIDTFU-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(n(c1C)Cc1cccs1)C

Complexity:

272

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

235.301g/mol

Monoisotopic Mass:

235.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3