9-Ethynylanthracene

CAT: 0127-OR1025410-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1025410-02Size:250 mg

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CAS Number

13752-40-4

Synonyms

9-ethynylanthracene

Purity

99%

Smiles

C#CC1=C2C=CC=CC2=CC3=CC=CC=C31

Chemical Information

9-Ethynylanthracene

CAS Number	13752-40-4
PubChem CID	4140199
IUPAC Name	9-ethynylanthracene
Molecular Formula	C16H10
Molecular Weight	202.25
XLogP	5
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	272

SMILES

C#CC1=C2C=CC=CC2=CC3=CC=CC=C31

InChI

InChI=1S/C16H10/c1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14/h1,3-11H

InChIKey

WSZBYXQREMPYLP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13752-40-4

CID: 4140199

Formula: C16H10

MW: 202.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.25
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	202.078250319
Monoisotopic Mass	202.078250319
Topological Polar Surface Area	0 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	272
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
OR1052074-01	(1-Ethynylanthracene-9,10-diyl) bis (trimethylsilane)
OR93683-01	2-Ethylanthracene-9,10-dione
OR1023755-01	9H,9'H-[9,9'-Bifluorene]-9,9'-Dicarbaldehyde
OR1074018-01	9,9,9',9',9'',9''-Hexahexyl-9H,9'H,9''H-2,2':7',2''-terfluorene
OR1032399-01	[9,9'-Bi-9H-Fluorene]-9,9'-dimethanol
OR1062050-01	9,9'-Bicarbazole
OR75921-01	9,9-Dihexylfluorene
OR918675-01	9,9-Dimethylxanthene
OR1025720-01	9,9'-Bifluorenylidene
OR1043832	9,9-Fluorenedipropionitrile