Name: Name:4-(ethoxycarbonyl)-5-methyl-1H-pyrrole-2-carboxylic acid
Brand: Angene
SKU: AG01AP17
Rating: 90 (10 reviews)

4-(ethoxycarbonyl)-5-methyl-1H-pyrrole-2-carboxylic acid

CAS No.:

21898-68-0

Catalog Number:

AG01AP17

Molecular Formula:

C9H11NO4

Molecular Weight:

197.1879

Catalog Number:

AG01AP17

Chemical Name:

4-(ethoxycarbonyl)-5-methyl-1H-pyrrole-2-carboxylic acid

CAS Number:

21898-68-0

Molecular Formula:

C9H11NO4

Molecular Weight:

197.1879

MDL Number:

MFCD20639291

IUPAC Name:

4-ethoxycarbonyl-5-methyl-1H-pyrrole-2-carboxylic acid

InChI:

InChI=1S/C9H11NO4/c1-3-14-9(13)6-4-7(8(11)12)10-5(6)2/h4,10H,3H2,1-2H3,(H,11,12)

InChI Key:

NVLCKOHEJDFRPW-UHFFFAOYSA-N

SMILES:

Cc1c(cc([nH]1)C(=O)O)C(=O)OCC

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

197.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

197.19g/mol

Monoisotopic Mass:

197.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2