Name: Name:4-(methoxycarbonyl)-5-methyl-3-propyl-1H-pyrrole-2-carboxylic acid
Brand: Angene
SKU: AG019W0H
Rating: 90 (10 reviews)

4-(methoxycarbonyl)-5-methyl-3-propyl-1H-pyrrole-2-carboxylic acid

CAS No.:

1193390-58-7

Catalog Number:

AG019W0H

Molecular Formula:

C11H15NO4

Molecular Weight:

225.2411

Catalog Number:

AG019W0H

Chemical Name:

4-(methoxycarbonyl)-5-methyl-3-propyl-1H-pyrrole-2-carboxylic acid

CAS Number:

1193390-58-7

Molecular Formula:

C11H15NO4

Molecular Weight:

225.2411

MDL Number:

MFCD12912795

IUPAC Name:

4-methoxycarbonyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylic acid

InChI:

InChI=1S/C11H15NO4/c1-4-5-7-8(11(15)16-3)6(2)12-9(7)10(13)14/h12H,4-5H2,1-3H3,(H,13,14)

InChI Key:

XFNHFVZKCXKKFV-UHFFFAOYSA-N

SMILES:

CCCc1c([nH]c(c1C(=O)OC)C)C(=O)O

Complexity:

279

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.244g/mol

Monoisotopic Mass:

225.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2