Name: Name:4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid
Brand: Angene
SKU: AG019VZG
Rating: 90 (10 reviews)

4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid

CAS No.:

856343-03-8

Catalog Number:

AG019VZG

Molecular Formula:

C10H13NO3

Molecular Weight:

195.2151

Catalog Number:

AG019VZG

Chemical Name:

4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid

CAS Number:

856343-03-8

Molecular Formula:

C10H13NO3

Molecular Weight:

195.2151

MDL Number:

MFCD12912792

IUPAC Name:

4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid

InChI:

InChI=1S/C10H13NO3/c1-4-7-8(6(3)12)5(2)11-9(7)10(13)14/h11H,4H2,1-3H3,(H,13,14)

InChI Key:

GPTFOSGQIYRSGM-UHFFFAOYSA-N

SMILES:

CCc1c(C(=O)C)c([nH]c1C(=O)O)C

Complexity:

252

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

195.218g/mol

Monoisotopic Mass:

195.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5