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Home Other Building Blocks 3-(4-butyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid

3-(4-butyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid

CAS No.:
568566-37-0
Catalog Number:
AG019HW2
Molecular Formula:
C15H18N2O3
Molecular Weight:
274.3150
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Product Description
Catalog Number:
AG019HW2
Chemical Name:
3-(4-butyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid
CAS Number:
568566-37-0
Molecular Formula:
C15H18N2O3
Molecular Weight:
274.3150
MDL Number:
MFCD03987967
IUPAC Name:
3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid
InChI:
InChI=1S/C15H18N2O3/c1-2-3-10-17-13-7-5-4-6-11(13)16-12(15(17)20)8-9-14(18)19/h4-7H,2-3,8-10H2,1H3,(H,18,19)
InChI Key:
OPPOBVTXRUNODU-UHFFFAOYSA-N
SMILES:
CCCCn1c(=O)c(CCC(=O)O)nc2c1cccc2
Properties
Complexity:
406  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.132g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
274.32g/mol
Monoisotopic Mass:
274.132g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
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