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Home Other Building Blocks 2-(4-Benzyl-1-oxophthalazin-2(1h)-yl)acetic acid

2-(4-Benzyl-1-oxophthalazin-2(1h)-yl)acetic acid

CAS No.:
114897-85-7
Catalog Number:
AG000FEA
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
10g
95%
In Stock USA
United States
$343
- +
Product Description
Catalog Number:
AG000FEA
Chemical Name:
2-(4-Benzyl-1-oxophthalazin-2(1h)-yl)acetic acid
CAS Number:
114897-85-7
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
MDL Number:
MFCD00406072
IUPAC Name:
2-(4-benzyl-1-oxophthalazin-2-yl)acetic acid
InChI:
InChI=1S/C17H14N2O3/c20-16(21)11-19-17(22)14-9-5-4-8-13(14)15(18-19)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)
InChI Key:
QAGXMQKMEDEMJM-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1nc(Cc2ccccc2)c2c(c1=O)cccc2
Properties
Complexity:
469  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.1g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
294.31g/mol
Monoisotopic Mass:
294.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
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