Trans-β-Methylstyrene

CAT: 0926-FT166057Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FT166057Size:25 g

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CAS Number

873-66-5

MDL Number

MFCD00009280

Smiles

C/C=C/C1=CC=CC=C1

Molecular Formula

C9H10

Molecular Weight

118.18 g/mol

Controlled

Chemical Information

trans-beta-METHYLSTYRENE

Isoallylbenzene is a member of styrenes.

CAS Number	873-66-5
PubChem CID	252325
IUPAC Name	[(E)-prop-1-enyl]benzene
Molecular Formula	C9H10
Molecular Weight	118.18
XLogP	3.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	86

SMILES

C/C=C/C1=CC=CC=C1

InChI

InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+

InChIKey

QROGIFZRVHSFLM-QHHAFSJGSA-N

Chemical Structure

2D Structure

CAS: 873-66-5

CID: 252325

Formula: C9H10

MW: 118.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	118.18
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	118.078250319
Monoisotopic Mass	118.078250319
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	86.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FM106355-01	2-Methylstyrene
FM26099-01	Trans, trans-Muconic acid
FF23230	Trans, trans-Farnesyl thiosalicylic acid
FA74379-01	Trans-Anethole
GFA08622	(+/-) -trans-Lamivudine
GAA37972-01	Trans-methylisoeugenol
FZ10034-01	Trans-Zeatin
FT28009-01	(+) -trans-Taxifolin
FP172829-01	(-) -trans-Pinocarveol
FT172871-01	Trans-Isocohumulone