(S) - (+) -Epoxyethylbenzene

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CAS Number

20780-54-5

Synonyms

(S) -Phenyloxirane

MDL Number

MFCD00064310

Purity

Smiles

C1O[C@H]1c2ccccc2

Chemical Information

(S)-styrene oxide

(S)-styrene oxide is the (S)-enantiomer of styrene oxide. It is an enantiomer of a (R)-styrene oxide.

CAS Number	20780-54-5
PubChem CID	114946
IUPAC Name	(2S)-2-phenyloxirane
Molecular Formula	C8H8O
Molecular Weight	120.15
XLogP	1.6
Topological Polar Surface Area	12.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	94

SMILES

C1[C@@H](O1)C2=CC=CC=C2

InChI

InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m1/s1

InChIKey

AWMVMTVKBNGEAK-MRVPVSSYSA-N

Chemical Structure

2D Structure

CAS: 20780-54-5

CID: 114946

Formula: C8H8O

MW: 120.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	120.15
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	120.057514874
Monoisotopic Mass	120.057514874
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
E01370-01	1 2-Epoxyethylbenzene