2-Acetylindane

CAT: 0127-OR8901-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR8901-01Size:1 g

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CAS Number

33982-85-3

Synonyms

1- (2,3-Dihydro-1H-inden-2-yl) ethanone

MDL Number

MFCD08543446

Purity

95%

Smiles

CC (=O) C1Cc2ccccc2C1

Chemical Information

2-Acetylindane

CAS Number	33982-85-3
PubChem CID	11116341
IUPAC Name	1-(2,3-dihydro-1H-inden-2-yl)ethanone
Molecular Formula	C11H12O
Molecular Weight	160.21
XLogP	1.9
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	171

SMILES

CC(=O)C1CC2=CC=CC=C2C1

InChI

InChI=1S/C11H12O/c1-8(12)11-6-9-4-2-3-5-10(9)7-11/h2-5,11H,6-7H2,1H3

InChIKey

TYYCRMLBQARGGU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33982-85-3

CID: 11116341

Formula: C11H12O

MW: 160.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.21
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	160.088815002
Monoisotopic Mass	160.088815002
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	171
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
OR931775-01	2-Acetylindole
OR470244	1-Acetylindole-2-carboxylic acid
BUP16985	3-Acetylindole
OR1021644	4-Acetylindole
OR12644-01	5-Bromo-3-acetylindole
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
PC450293-01	2,2-Difluoroethyl 2,2,2-trifluoroethyl carbonate
PC100568-01	2,2,2-Trifluoroethyl 2-cyanoacetate

Catalog	Name
abx188514	5-Acetylindane
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