2,2'-Diethynylbiphenyl

CAT: 0127-OR18849Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR18849Size:1 Each

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CAS Number

18442-29-0

MDL Number

MFCD28096611

Purity

=95%

Smiles

C#Cc1ccccc1c2ccccc2C#C

Chemical Information

1,1'-Biphenyl, 2,2'-diethynyl-

CAS Number	18442-29-0
PubChem CID	140388
IUPAC Name	1-ethynyl-2-(2-ethynylphenyl)benzene
Molecular Formula	C16H10
Molecular Weight	202.25
XLogP	4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	286

SMILES

C#CC1=CC=CC=C1C2=CC=CC=C2C#C

InChI

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

InChIKey

PKTBMUQIQHZEIM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18442-29-0

CID: 140388

Formula: C16H10

MW: 202.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.25
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	202.078250319
Monoisotopic Mass	202.078250319
Topological Polar Surface Area	0 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	286
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

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