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Home Other Building Blocks 2-methyl-1,2,3,4-tetrahydrophthalazine-1,4-dione

2-methyl-1,2,3,4-tetrahydrophthalazine-1,4-dione

CAS No.:
18393-54-9
Catalog Number:
AG01BUV8
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
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Product Description
Catalog Number:
AG01BUV8
Chemical Name:
2-methyl-1,2,3,4-tetrahydrophthalazine-1,4-dione
CAS Number:
18393-54-9
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD03231101
IUPAC Name:
3-methyl-2H-phthalazine-1,4-dione
InChI:
InChI=1S/C9H8N2O2/c1-11-9(13)7-5-3-2-4-6(7)8(12)10-11/h2-5H,1H3,(H,10,12)
InChI Key:
RDVYNYHUUGFVQN-UHFFFAOYSA-N
SMILES:
O=c1[nH]n(C)c(=O)c2c1cccc2
NSC Number:
235820
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
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