Products for Research Use Only
RegisterLogin

1,3-Diethynylbenzene

CAT: 0024-sc-222968Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-222968Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1785-61-1

Chemical Information

Benzene, 1,3-diethynyl-
CAS Number1785-61-1
PubChem CID123130
IUPAC Name1,3-diethynylbenzene
Molecular FormulaC10H6
Molecular Weight126.15
XLogP2.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity173
SMILES
C#CC1=CC(=CC=C1)C#C
InChI
InChI=1S/C10H6/c1-3-9-6-5-7-10(4-2)8-9/h1-2,5-8H
InChIKey
PNXLPYYXCOXPBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzene, 1,3-diethynyl-
CAS: 1785-61-1
CID: 123130
Formula: C10H6
MW: 126.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.15
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass126.0469501914
Monoisotopic Mass126.0469501914
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity173
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-2230411,4-Diethynylbenzene
sc-223041A1,4-Diethynylbenzene
sc-2229661,3-Diethylbenzene
sc-222966A1,3-Diethylbenzene
sc-2820501-Bromo-3,5-diethylbenzene
sc-282050A1-Bromo-3,5-diethylbenzene
sc-2654432-Bromo-1,3-diethylbenzene
sc-3355342,5-Dibromo-1,3-diethylbenzene
sc-3234005-Bromo-2-chloro-1,3-diethylbenzene
sc-2539641,2-Diethylbenzene

Alternative Products

CatalogName
656499801,3-Diethynylbenzene
OR13101-011,4-Diethynylbenzene
OR490741,2-Diethynylbenzene
OR1009400-011-Bromo-3,5-Diethynylbenzene
D25170-01M-Diethynylbenzene 97%
OR82691-012,5-Diethynylbenzene-1,4-diamine
OR1055613-012,5-Diethynylbenzene-1,4-diol
OR1042599-011,4-Dibutoxy-2,5-diethynylbenzene
OR84823-011,4-Diethoxy-2,5-diethynylbenzene
OR92722-011,4-Bis (dodecyloxy) -2,5-diethynylbenzene

Popular Products