Name: Name:4-acetyl-5-methyl-3-(propan-2-yl)-1H-pyrrole-2-carboxylic acid
Brand: Angene
SKU: AG01A1UC
Rating: 90 (10 reviews)

4-acetyl-5-methyl-3-(propan-2-yl)-1H-pyrrole-2-carboxylic acid

CAS No.:

1423024-14-9

Catalog Number:

AG01A1UC

Molecular Formula:

C11H15NO3

Molecular Weight:

209.2417

Catalog Number:

AG01A1UC

Chemical Name:

4-acetyl-5-methyl-3-(propan-2-yl)-1H-pyrrole-2-carboxylic acid

CAS Number:

1423024-14-9

Molecular Formula:

C11H15NO3

Molecular Weight:

209.2417

MDL Number:

MFCD22578479

IUPAC Name:

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

InChI:

InChI=1S/C11H15NO3/c1-5(2)8-9(7(4)13)6(3)12-10(8)11(14)15/h5,12H,1-4H3,(H,14,15)

InChI Key:

JJULLPVWPMCVPA-UHFFFAOYSA-N

SMILES:

CC(=O)c1c(C)[nH]c(c1C(C)C)C(=O)O

Complexity:

275

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

209.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

209.245g/mol

Monoisotopic Mass:

209.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8