4-Tert-Butylstyrene

CAT: 0127-OR1028085-01Size: 5 mLDry Ice: NoHazardous: No

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CAT#:0127-OR1028085-01Size:5 mL

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CAS Number

1746-23-2

Synonyms

1-tert-butyl-4-ethenylbenzene

MDL Number

MFCD00065126

Purity

96%

Smiles

CC(C)(C)C1=CC=C(C=C1)C=C

Storage Conditions

Store at 2-8°C

Chemical Information

4-tert-Butylstyrene

CAS Number	1746-23-2
PubChem CID	15627
IUPAC Name	1-tert-butyl-4-ethenylbenzene
Molecular Formula	C12H16
Molecular Weight	160.25
XLogP	4.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	142

SMILES

CC(C)(C)C1=CC=C(C=C1)C=C

InChI

InChI=1S/C12H16/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5-9H,1H2,2-4H3

InChIKey

QEDJMOONZLUIMC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1746-23-2

CID: 15627

Formula: C12H16

MW: 160.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.25
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	160.125200510
Monoisotopic Mass	160.125200510
Topological Polar Surface Area	0 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	142
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

Catalog	Name
BBA00955-01	Poly (4-tert-butylstyrene)
sc-267752	4-tert-Butylstyrene, 94%, stab. with 50ppm 4-tert-butylcatechol
FB35173-01	4-tert-Butylaniline
FB44572-01	4-tert-Butylphenol
FB11129-01	4-tert-Butylpyridine
KHA25936-01	4-tert-Butoxybenzonitrile
T66304-01	4-tert-Butylcatechol
RG-A260547-01	4-Tert-Octylphenol
RG-E141086-01	4-tert-Butylbenzaldehyde
MBS3606749-01	4-tert-Butylacetophenone