P-Xylene-d10

CAT: 0024-sc-257962Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-257962Size:5 g

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CAS Number

41051-88-1

Chemical Information

(2H10)-p-xylene

CAS Number	41051-88-1
PubChem CID	566957
IUPAC Name	1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethyl)benzene
Molecular Formula	C8H10
Molecular Weight	116.23
XLogP	3.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	48

SMILES

[2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])[2H])C([2H])([2H])[2H])[2H]

InChI

InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3/i1D3,2D3,3D,4D,5D,6D

InChIKey

URLKBWYHVLBVBO-ZGYYUIRESA-N

Chemical Structure

2D Structure

CAS: 41051-88-1

CID: 566957

Formula: C8H10

MW: 116.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	116.23
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	116.141017778
Monoisotopic Mass	116.141017778
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	48.4
Isotope Atom Count	10
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes