CAS: 95-47-6
名称: 1,2-xylene
SMILES:
CC1=CC=CC=C1CMolecular 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: CTQNGGLPUBDAKN-UHFFFAOYSA-N
同義語
O-XYLENE1,2-Dimethylbenzene1,2-Xylene95-47-6Ortho-Xyleneo-Xylolo-Dimethylbenzeneo-Methyltoluene2-Xylene3,4-XyleneBenzene, 1,2-dimethyl-1,2-Dimethylbenzol2-MethyltolueneDTXSID3021807orthoxyleneZ2474E14QPNSC-60920DTXCID501807CHEBI:28063RefChem:97202-422-2o-XylenesXylene, o-Benzene, o-dimethyl-NSC 60920o-Xylene-dimethyl-13C2MFCD00008519BENZENE,1,2-DIMETHYLCHEMBL45005CCRIS 905
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