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1042697-82-4

1042697-82-4 | 2-[1-(2

CAS No: 1042697-82-4 Catalog No: AG01FOA1 MDL No:

Product Description

Catalog Number:
AG01FOA1
Chemical Name:
2-[1-(2
CAS Number:
1042697-82-4
IUPAC Name:
2-[1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
InChI:
InChI=1S/C15H20N2O5/c1-21-12-5-3-4-10(14(12)22-2)9-17-7-6-16-15(20)11(17)8-13(18)19/h3-5,11H,6-9H2,1-2H3,(H,16,20)(H,18,19)
InChI Key:
IVXJAXDNDTZWLE-UHFFFAOYSA-N

Properties

Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.137g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
308.334g/mol
Monoisotopic Mass:
308.137g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9  

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

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