CCCC1=CC=C(C=C1)C#C
CAS: 62452-73-7
Name: 1-ethynyl-4-propylbenzene
SMILES: CCCC1=CC=C(C=C1)C#C

Molecular Processing

Molecular formula
C11H12
Molecular weight
144.22
Exact mass
144.0939
XLogP
2.62
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
0
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
48.37

Supplementary Information

InChIKey: UVFFOABHOIMLNB-UHFFFAOYSA-N
Synonyme
1-Ethynyl-4-propylbenzene62452-73-7DTXSID00379405RefChem:230460DTXCID60330431680-129-24-Propylphenylacetylene1-ETH-1-YNYL-4-PROPYLBENZENE4-n-PropylphenylacetyleneMFCD001738861-ethynyl-4-propyl-benzeneBenzene, 1-ethynyl-4-propyl-4-n-propylphenyl ethine4-propyl phenylacetylene4-ethynyl-1-propylbenzene4-propyl-1-ethynylbenzeneP-PROPYLETHYNYLBENZENE1-n-propyl-4-ethynylbenzeneSCHEMBL6706101-n-propyl-4-ethynyl-benzeneSCHEMBL16110351-(1-ethynyl)-4-propylbenzeneSBB055300AKOS005146104AC-4956CS-W016378DS-1119SY0189191-eth-1-ynyl-4-propylbenzene, AldrichCPRE0750
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