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n-Propylcyclopentane

CAT: 0572-TRC-P835160-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P835160-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2040-96-2
Synonyms
Cyclopentane, propyl-; Propylcyclopentane; 1-Propylcyclopentane; NSC 73947; n-Propylcyclopentane
Hazard Statement
Highly flammable liquid and vapour; UN number: UN3295; Packing Group: II
Smiles
CCCC1CCCC1
Molecular Formula
C8 H16
Molecular Weight
112.21
InChI
InChI=1S/C8H16/c1-2-5-8-6-3-4-7-8/h8H,2-7H2,1H3
Additionnal Information
IUPAC name: propylcyclopentane
Shipping Conditions
Ice Packs
Storage Conditions
+4°C

Chemical Information

Propylcyclopentane

propylcyclopentane has been reported in Tuber borchii with data available.

CAS Number2040-96-2
PubChem CID16270
IUPAC Namepropylcyclopentane
Molecular FormulaC8H16
Molecular Weight112.21
XLogP4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity51
SMILES
CCCC1CCCC1
InChI
InChI=1S/C8H16/c1-2-5-8-6-3-4-7-8/h8H,2-7H2,1H3
InChIKey
KDIAMAVWIJYWHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propylcyclopentane
CAS: 2040-96-2
CID: 16270
Formula: C8H16
MW: 112.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.21
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass112.125200510
Monoisotopic Mass112.125200510
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity51.1
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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