Name: Name:1-(4-Methylbenzyl)-5-oxopyrrolidine-3-carboxylic acid
Brand: Angene
SKU: AG005TZ9
Rating: 90 (10 reviews)

1-(4-Methylbenzyl)-5-oxopyrrolidine-3-carboxylic acid

CAS No.:

96449-91-1

Catalog Number:

AG005TZ9

Molecular Formula:

C13H15NO3

Molecular Weight:

233.2631

Pack Size

Purity

Availability

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Price(USD)

Quantity

95%

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United States

$168

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Product Description

Catalog Number:

AG005TZ9

Chemical Name:

1-(4-Methylbenzyl)-5-oxopyrrolidine-3-carboxylic acid

CAS Number:

96449-91-1

Molecular Formula:

C13H15NO3

Molecular Weight:

233.2631

MDL Number:

MFCD01934736

IUPAC Name:

1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

InChI:

InChI=1S/C13H15NO3/c1-9-2-4-10(5-3-9)7-14-8-11(13(16)17)6-12(14)15/h2-5,11H,6-8H2,1H3,(H,16,17)

InChI Key:

NBQXYAJLUDQSNV-UHFFFAOYSA-N

SMILES:

OC(=O)C1CN(C(=O)C1)Cc1ccc(cc1)C

Properties

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

233.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

233.267g/mol

Monoisotopic Mass:

233.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

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

Properties