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 Formula	C₇H₁₀N₂O₂
Molecular Weight	154.17 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	58.2
Heavy Atom Count	11
Formal Charge	0
Complexity	231
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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