CC1=CC=C(C=C1)C
CAS: 106-42-3
Name: 1,4-xylene
SMILES: CC1=CC=C(C=C1)C

Molecular Processing

Molecular formula
C8H10
Molecular weight
106.17
Exact mass
106.0783
XLogP
2.3
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
Heavy atoms
8
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
0.25
Molar refractivity
35.92

Supplementary Information

InChIKey: URLKBWYHVLBVBO-UHFFFAOYSA-N
Synonyme
P-XYLENE106-42-31,4-DimethylbenzenePara-Xylene1,4-Xylenep-Methyltoluenep-Dimethylbenzenep-XylolBenzene, 1,4-dimethyl-4-Xylene4-MethyltolueneChromarScintillar1,4-DimethylbenzolparaxyleneDTXSID20218686WAC1O477VNSC-72419DTXCID701868CHEBI:27417RefChem:103203-396-5NSC 72419CHEMBL31561p-Xylene-alpha,alpha'-13C2Xylene, p-Benzene, p-dimethyl-p-XylenesXylene, p-isomerPXY
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