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(R) -1-phenylethyl acetate

CAT: 0127-OR1060941-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1060941-01Size:100 mg
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CAS Number
16197-92-5
Purity
98%
Smiles
[C@@H](OC(C)=O)(C)C1=CC=CC=C1

Chemical Information

(+)-Styrallyl acetate
CAS Number16197-92-5
PubChem CID6951704
IUPAC Name[(1R)-1-phenylethyl] acetate
Molecular FormulaC10H12O2
Molecular Weight164.20
XLogP2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity148
SMILES
C[C@H](C1=CC=CC=C1)OC(=O)C
InChI
InChI=1S/C10H12O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3/t8-/m1/s1
InChIKey
QUMXDOLUJCHOAY-MRVPVSSYSA-N
Chemical Structure
2D Structure
2D structure of (+)-Styrallyl acetate
CAS: 16197-92-5
CID: 6951704
Formula: C10H12O2
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass164.083729621
Monoisotopic Mass164.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity148
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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