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O-Xylene 97 % pure

CAT: 1288-LC-10116.1Size: 2.5 LDry Ice: NoHazardous: Yes
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CAT#:1288-LC-10116.1Size:2.5 L
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CAS Number
95-47-6
UN Code
UN1307

Chemical Information

O-Xylene

O-xylene is a xylene substituted by methyl groups at positions 1 and 2.

CAS Number95-47-6
PubChem CID7237
IUPAC Name1,2-xylene
Molecular FormulaC8H10
Molecular Weight106.16
XLogP3.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity56
SMILES
CC1=CC=CC=C1C
InChI
InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
InChIKey
CTQNGGLPUBDAKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of O-Xylene
CAS: 95-47-6
CID: 7237
Formula: C8H10
MW: 106.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight106.16
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass106.078250319
Monoisotopic Mass106.078250319
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity56.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes