Name: Name:1H-Pyrrole-2,5-dicarboxylic acid, mono(phenylmethyl) ester
Brand: Angene
SKU: AG004QTL
Rating: 90 (10 reviews)

1H-Pyrrole-2,5-dicarboxylic acid, mono(phenylmethyl) ester

CAS No.:

848352-99-8

Catalog Number:

AG004QTL

Molecular Formula:

C13H10NO4-

Molecular Weight:

244.2228

Catalog Number:

AG004QTL

Chemical Name:

1H-Pyrrole-2,5-dicarboxylic acid, mono(phenylmethyl) ester

CAS Number:

848352-99-8

Molecular Formula:

C13H10NO4-

Molecular Weight:

244.2228

MDL Number:

MFCD16878342

IUPAC Name:

5-phenylmethoxycarbonyl-1H-pyrrole-2-carboxylic acid

InChI:

InChI=1S/C13H11NO4/c15-12(16)10-6-7-11(14-10)13(17)18-8-9-4-2-1-3-5-9/h1-7,14H,8H2,(H,15,16)

InChI Key:

GAUPADLIIGDUTC-UHFFFAOYSA-N

SMILES:

O=C(c1ccc([nH]1)C(=O)[O-])OCc1ccccc1

Complexity:

312

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.234g/mol

Monoisotopic Mass:

245.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3