CAS 116355-08-9

1 2D Structure

CAS 116355-08-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

imidazo[1,2-a]pyridine;propan-2-one

2.1.2 InChI

InChI=1S/C7H6N2.C3H6O/c1-2-5-9-6-4-8-7(9)3-1;1-3(2)4/h1-6H;1-2H3

2.1.3 InChI Key

CKKSWFYKUITDRX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C.C1=CC2=NC=CN2C=C1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Propan-2-one Compound With Imidazo[1,2-a]pyridine (1:1)

2. 116355-08-9

3. Imidazo[1,2-a]pyridine; Propan-2-one

2.3 Create Date

2021-09-09

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂N₂O
Molecular Weight	176.21 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	34.4
Heavy Atom Count	13
Formal Charge	0
Complexity	129
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	2

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