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Also known as: 1903632-97-2, Schembl24375480, P20475
Molecular Formula
C7H10N2O2
Molecular Weight
154.17  g/mol
InChI Key
SNBJJRQDOILAAT-UHFFFAOYSA-N

CAS 1903632-97-2
1 2D Structure

CAS 1903632-97-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-propan-2-yl-1,2-dihydropyridazine-3,6-dione
2.1.2 InChI
InChI=1S/C7H10N2O2/c1-4(2)5-3-6(10)8-9-7(5)11/h3-4H,1-2H3,(H,8,10)(H,9,11)
2.1.3 InChI Key
SNBJJRQDOILAAT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)C1=CC(=O)NNC1=O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1903632-97-2

2. Schembl24375480

3. P20475

2.3 Create Date
2016-02-15
3 Chemical and Physical Properties
Molecular Weight 154.17 g/mol
Molecular Formula C7H10N2O2
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area58.2
Heavy Atom Count11
Formal Charge0
Complexity231
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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