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Cumene, m-ethyl-

CAT: 0931-T31110-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T31110-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4920-99-4
Target
Others
Related Pathways
Others
Bioactivity
Cumene, m-ethyl- is a bioactive chemical.
Smiles
C=1C=C(C=C(C1)C(C)C)CC
Molecular Formula
C11H16
Molecular Weight
148.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Ethyl-3-isopropylbenzene
CAS Number4920-99-4
PubChem CID21030
IUPAC Name1-ethyl-3-propan-2-ylbenzene
Molecular FormulaC11H16
Molecular Weight148.24
XLogP3.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity105
SMILES
CCC1=CC(=CC=C1)C(C)C
InChI
InChI=1S/C11H16/c1-4-10-6-5-7-11(8-10)9(2)3/h5-9H,4H2,1-3H3
InChIKey
GSLSBTNLESMZTN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Ethyl-3-isopropylbenzene
CAS: 4920-99-4
CID: 21030
Formula: C11H16
MW: 148.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.24
XLogP33.8
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
Complexity105
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

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Alternative Products

CatalogName
GTR19223661-01Cumene, m-ethyl-
TRC-C834590-10GCumene
20820002-2Cumene Hydroperoxide
1032185 500Cumene (Isopropylbenzene)
C26980-01Cumene 95%
O01825Octyl Cumene
269220-01Cumene Hydroperoxide discontinued
C26998Cumene hydroperoxide 80%
FS148825-01Sodium cumene sulfonate
C26997-01Cumene hydroperoxide 20%

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