Name: Name:3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Brand: Angene
SKU: AG01ABFA
Rating: 90 (10 reviews)

3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

CAS No.:

349102-92-7

Catalog Number:

AG01ABFA

Molecular Formula:

C15H22N2O4

Molecular Weight:

294.3462

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Product Description

Catalog Number:

AG01ABFA

Chemical Name:

3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

CAS Number:

349102-92-7

Molecular Formula:

C15H22N2O4

Molecular Weight:

294.3462

MDL Number:

MFCD01534220

IUPAC Name:

3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

InChI:

InChI=1S/C15H22N2O4/c18-8-7-16-3-5-17(6-4-16)14(19)12-10-1-2-11(9-10)13(12)15(20)21/h1-2,10-13,18H,3-9H2,(H,20,21)

InChI Key:

ROYMUXAWZLOZIB-UHFFFAOYSA-N

SMILES:

OCCN1CCN(CC1)C(=O)C1C2C=CC(C1C(=O)O)C2

Properties

Complexity:

457

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

294.158g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

294.351g/mol

Monoisotopic Mass:

294.158g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.9

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