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Allyl Phenyl Ether-d5

CAT: 0572-TRC-A572212-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A572212-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1373735-60-4
Synonyms
Allyloxybenzene-d5; NSC 4746-d5; Phenyl 2-Propenyl Ether-d5; Phenyl Allyl Ether-d5; Phenylpropenyl Ether-d5; (2-Propenyloxy)benzene-d5; 1-(2-Propenyloxy)benzene-d5;1-Phenoxy-2-propene-d5; 3-Phenoxy-1-propene-d5; 3-Phenoxypropene-d5; Ether Allyl Phenyl-d5; (2-Propenyloxy)benzene-d5;
Hazard Statement
No Data Available
Smiles
[2H]c1c([2H])c([2H])c(OCC=C)c([2H])c1[2H]
Molecular Formula
C9H5D5O
Molecular Weight
139.21
Shipping Conditions
Room Temperature

Chemical Information

Allyl Phenyl Ether-d5
CAS Number1373735-60-4
PubChem CID131667482
IUPAC Name1,2,3,4,5-pentadeuterio-6-prop-2-enoxybenzene
Molecular FormulaC9H10O
Molecular Weight139.21
XLogP2.9
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity92
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])OCC=C)[2H])[2H]
InChI
InChI=1S/C9H10O/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2/i3D,4D,5D,6D,7D
InChIKey
POSICDHOUBKJKP-DKFMXDSJSA-N
Chemical Structure
2D Structure
2D structure of Allyl Phenyl Ether-d5
CAS: 1373735-60-4
CID: 131667482
Formula: C9H10O
MW: 139.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.21
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass139.104548668
Monoisotopic Mass139.104548668
Topological Polar Surface Area9.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity92.9
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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