Home Carboxys 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid

1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid

CAS No.:
42972-13-4
Catalog Number:
AG0038PX
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$172
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Product Description
Catalog Number:
AG0038PX
Chemical Name:
1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid
CAS Number:
42972-13-4
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
MDL Number:
MFCD06371360
IUPAC Name:
1,4-dioxo-2,3-dihydrophthalazine-6-carboxylic acid
InChI:
InChI=1S/C9H6N2O4/c12-7-5-2-1-4(9(14)15)3-6(5)8(13)11-10-7/h1-3H,(H,10,12)(H,11,13)(H,14,15)
InChI Key:
FXXJJBDOKNNGQF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O
NSC Number:
211205
Properties
Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.033g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
206.157g/mol
Monoisotopic Mass:
206.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties