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rac Styrene-d8 Oxide

CAT: 0572-TRC-S687798-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S687798-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
148076-33-9
Synonyms
2-Phenyloxirane-d8; (Epoxyethyl)benzene-d8; 1,2-Epoxy-1-phenylethane-d8; Phenyloxirane-d8; (Epoxyethyl)benzene-d8; (±)-Phenylethylene-d8 Oxide; (±)-Phenyloxirane-d8; (±)-Styrene-d8 Oxide; 1,2-Epoxyethylbenzene-d8; 1-Phenyl-1,2-epoxyethane-d6; 2-Phenyloxirane-d8; Epoxystyrene-d8; NSC 637-d8; NSC 7582-d8; Phenethylene-d8 Oxide; Phenylethylene-d8 oxide; Phenyloxirane-d8; STO-d8; Styrene-d8 1',2'-Oxide; Styrene-d8 7,8-Oxide; Styrene-d8 Epoxide; Styryl-d8 Oxide; α,β-Epoxystyrene-d8;
Hazard Statement
Harmful if swallowed; UN number: UN2810; Packing Group: III
Smiles
[2H]C(C([2H])=C([2H])C([2H])=C1[2H])=C1C2([2H])C([2H])([2H])O2
Molecular Formula
C8D8O
Molecular Weight
128.2
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

rac Styrene-d8 Oxide
CAS Number148076-33-9
PubChem CID2724922
IUPAC Name2,2,3-trideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)oxirane
Molecular FormulaC8H8O
Molecular Weight128.20
XLogP1.6
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity94
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C2(C(O2)([2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/i1D,2D,3D,4D,5D,6D2,8D
InChIKey
AWMVMTVKBNGEAK-INHGFZCOSA-N
Chemical Structure
2D Structure
2D structure of rac Styrene-d8 Oxide
CAS: 148076-33-9
CID: 2724922
Formula: C8H8O
MW: 128.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.20
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass128.107728842
Monoisotopic Mass128.107728842
Topological Polar Surface Area12.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.7
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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