1,4-Diethynylbenzene

Catalog Number	ACM935148
CAS	935-14-8
Structure
Synonyms	P-diethynyl-benzen
IUPAC Name	1,4-diethynylbenzene
Molecular Weight	126.15464258194
Molecular Formula	C10H6
Canonical SMILES	C#CC1=CC=C(C=C1)C#C
InChI	InChI=1S/C10H6/c1-3-9-5-7-10(4-2)8-6-9/h1-2,5-8H
InChI Key	MVLGANVFCMOJHR-UHFFFAOYSA-N
Melting Point	94-98 °C-lit.
Purity	98%
Appearance	Yellow solid powder
Complexity	163
Covalently-Bonded Unit Count	1
Exact Mass	126.04695g/mol
Formal Charge	0
Heavy Atom Count	10
Monoisotopic Mass	126.04695g/mol
Rotatable Bond Count	2