P-Isobutylstyrene-d7

CAT: 0926-NCA44456-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-NCA44456-01Size:50 mg

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CAS Number

63444-56-4

MDL Number

MFCD18976388

Smiles

CC (C) CC1=CC=C (C=C1) C=C

Molecular Formula

C12H9D7

Molecular Weight

167.3 g/mol

Controlled

Chemical Information

1-Ethenyl-4-(2-methylpropyl)benzene

CAS Number	63444-56-4
PubChem CID	576146
IUPAC Name	1-ethenyl-4-(2-methylpropyl)benzene
Molecular Formula	C12H16
Molecular Weight	160.25
XLogP	4.3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	127

SMILES

CC(C)CC1=CC=C(C=C1)C=C

InChI

InChI=1S/C12H16/c1-4-11-5-7-12(8-6-11)9-10(2)3/h4-8,10H,1,9H2,2-3H3

InChIKey

VTMSSJKVUVVWNJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63444-56-4

CID: 576146

Formula: C12H16

MW: 160.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.25
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	160.125200510
Monoisotopic Mass	160.125200510
Topological Polar Surface Area	0 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	127
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
RDA97869-01	P-Tolyl Sulfate-d7 Potassium Salt
WZB81814-01	Propiconazole-d7
WDC60419-01	Diacetolol d7
UWC76822-01	Benzthiazide-d7
UWA68621-01	Celecoxib-d7
EBC22043-01	Fosinoprilat-d7
KQD66910-01	Lathosterol-d7
IDA19947-01	Cholesterol (D7)
TYB91170-01	Carisoprodol-d7
KQD66919-01	Zymostenol-d7

Catalog	Name
sc-488355	P-Isobutylstyrene-d7
sc-488354	P-Isobutylstyrene
I787500	p-Isobutylstyrene (stabilized with 1% W/W tert-Butylcatechol)
TRC-C781902-100MG	p-Cresol-d7
HY-W012860S-01	P-Tolualdehyde-d7
461903-01	P-Tolunitrile-d7
AR-I01062-01	Ibuprofen Impurity (4-Isobutylstyrene)
HY-76547S1-01	P-Toluic acid-d7
TRC-C782007-10MG	p-Cresol Glucuronide-d7
HY-W725462	P-Cresol Rutinoside-d7