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Neopentylbenzene

CAT: 0931-TN9292-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9292-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1007-26-7
Target
Others
Related Pathways
Others
Purity
0.9935
Bioactivity
Neopentylbenzene is an aromatic compound widely used in biochemical experiments and drug synthesis research.
Smiles
C=1C=CC(=CC1)CC(C)(C)C
Molecular Formula
C11H16
Molecular Weight
148.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benzene, (2,2-dimethylpropyl)-
CAS Number1007-26-7
PubChem CID13877
IUPAC Name2,2-dimethylpropylbenzene
Molecular FormulaC11H16
Molecular Weight148.24
XLogP4.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity102
SMILES
CC(C)(C)CC1=CC=CC=C1
InChI
InChI=1S/C11H16/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey
CJGXJKVMUHXVHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzene, (2,2-dimethylpropyl)-
CAS: 1007-26-7
CID: 13877
Formula: C11H16
MW: 148.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.24
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass148.125200510
Monoisotopic Mass148.125200510
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity102
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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GTR19255121-01Neopentylbenzene
N03978-01Neopentylbenzene 95%
OR28909-011-neopentylbenzene
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