Styrene

CAT: 1299-RM-S750500-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S750500-01Size:10 mg

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CAS Number

100-42-5

Synonyms

Phenylethylene; Vinylbenzene

Molecular Formula

C8H8

Molecular Weight

104.15

Target Alternative Name

Styrene

Product Name Synonym

Phenylethylene; Vinylbenzene

Chemical Information

Styrene

Styrene can cause cancer according to The National Toxicology Program.

CAS Number	100-42-5
PubChem CID	7501
IUPAC Name	styrene
Molecular Formula	C8H8
Molecular Weight	104.15
XLogP	2.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	68

SMILES

C=CC1=CC=CC=C1

InChI

InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2

InChIKey

PPBRXRYQALVLMV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 100-42-5

CID: 7501

Formula: C8H8

MW: 104.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	104.15
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	104.062600255
Monoisotopic Mass	104.062600255
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	68.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes