Styrene Oxide

CAT: 0127-OR1078818-01Size: 25 mLDry Ice: NoHazardous: No

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CAT#:0127-OR1078818-01Size:25 mL

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CAS Number

96-09-3

Synonyms

Phenyloxirane / 1,2-Epoxyethylbenzene / Phenylethylene Oxide

MDL Number

MFCD00005121

Purity

>98.0%

Smiles

C1C (O1) C2=CC=CC=C2

Chemical Information

Styrene Oxide

Styrene Oxide can cause cancer according to an independent committee of scientific and health experts.

CAS Number	96-09-3
PubChem CID	7276
IUPAC Name	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

C1C(O1)C2=CC=CC=C2

InChI

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

InChIKey

AWMVMTVKBNGEAK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 96-09-3

CID: 7276

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	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR40295-01	Poly (styrene)
PC105263-01	4-Styrene Pentafluorophenoate
PC502159	2- (Difluoromethoxy) styrene
OR52289-01	4- (Bromomethyl) styrene
PC1998-01	2- (Trifluoromethyl) styrene
PC4018-01	3- (Trifluoromethyl) styrene
PC8732-01	4- (Trifluoromethyl) styrene
PC500752	3- (Trifluoromethoxy) styrene
PC502383	4- (Trifluoromethylthio) styrene
PC0401-01	Alpha- (Trifluoromethyl) styrene