Name: Name:2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3-phenylpropanoic acid
Brand: Angene
SKU: AG01AHIM
Rating: 90 (10 reviews)

2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3-phenylpropanoic acid

CAS No.:

62212-16-2

Catalog Number:

AG01AHIM

Molecular Formula:

C13H11NO4

Molecular Weight:

245.2307

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Product Description

Catalog Number:

AG01AHIM

Chemical Name:

2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3-phenylpropanoic acid

CAS Number:

62212-16-2

Molecular Formula:

C13H11NO4

Molecular Weight:

245.2307

MDL Number:

MFCD00439182

IUPAC Name:

2-(2,5-dioxopyrrol-1-yl)-3-phenylpropanoic acid

InChI:

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

InChI Key:

ZZOFFYJXNMLXEP-UHFFFAOYSA-N

SMILES:

OC(=O)C(N1C(=O)C=CC1=O)Cc1ccccc1

Properties

Complexity:

378

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:

74.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501