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Home Nitriles 3-Hydroxy-5,6-dimethylpyridazine-4-carbonitrile

3-Hydroxy-5,6-dimethylpyridazine-4-carbonitrile

CAS No.:
40380-36-7
Catalog Number:
AG00735N
Molecular Formula:
C7H7N3O
Molecular Weight:
149.1500
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$126
- +
250mg
95%
In Stock USA
United States
$227
- +
1g
95%
In Stock USA
United States
$454
- +
Product Description
Catalog Number:
AG00735N
Chemical Name:
3-Hydroxy-5,6-dimethylpyridazine-4-carbonitrile
CAS Number:
40380-36-7
Molecular Formula:
C7H7N3O
Molecular Weight:
149.1500
MDL Number:
MFCD01438496
IUPAC Name:
3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile
InChI:
InChI=1S/C7H7N3O/c1-4-5(2)9-10-7(11)6(4)3-8/h1-2H3,(H,10,11)
InChI Key:
WNSUWBPFLAQCMF-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]nc(c1C)C
UNII:
XWO4UMV6Z1
NSC Number:
338208
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.059g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
149.153g/mol
Monoisotopic Mass:
149.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties