6-Nitroindan-1-one

CAT: 0127-OR30531-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR30531-01Size:1 g

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CAS Number

24623-24-3

Synonyms

2,3-Dihydro-6-nitro-1H-inden-1-one, 2,3-Dihydro-6-nitro-1-oxo-1H-indene

MDL Number

MFCD06656903

Purity

97%

Smiles

[O-][N+](=O)c1ccc2CCC(=O)c2c1

Chemical Information

6-Nitroindan-1-one

CAS Number	24623-24-3
PubChem CID	90562
IUPAC Name	6-nitro-2,3-dihydroinden-1-one
Molecular Formula	C9H7NO3
Molecular Weight	177.16
XLogP	1.5
Topological Polar Surface Area	62.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	246

SMILES

C1CC(=O)C2=C1C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H7NO3/c11-9-4-2-6-1-3-7(10(12)13)5-8(6)9/h1,3,5H,2,4H2

InChIKey

MLRACZPAMDFORH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24623-24-3

CID: 90562

Formula: C9H7NO3

MW: 177.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	177.16
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	177.042593085
Monoisotopic Mass	177.042593085
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	246
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
Compound Is Canonicalized	Yes

Catalog	Name
sc-262881	6-Nitroindan-1-one
sc-232923	4-Nitroindan
260983-01	2-Amino-5-nitroindan hydrochloride
229839-01	2-Amino-5-nitroindan hydrochloride ≥97% (HPLC)
438912-01	6-Trifluoromethyltetralin-1-one
sc-483185	6-Bromoisoindolin-1-one
GTR19182863	1-Hydroxycanthin-6-one
ACB10945-01	6-Aminoisoindolin-1-one
BAA19593-01	2,2,6,6-Tetramethylcyclohexan-1-one
JBA65419	1,4-Dithiepan-6-one