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Cyclopropanecarboxylic Acid Hexyl Ester

CAT: 0572-TRC-C989660-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C989660-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60128-03-2
Synonyms
Hexyl Cyclopropanecarboxylate
Hazard Statement
No Data Available
Smiles
O=C(C1CC1)OCCCCCC
Molecular Formula
C10H18O2
Molecular Weight
170.25
InChI
InChI=1S/C10H18O2/c1-2-3-4-5-8-12-10(11)9-6-7-9/h9H,2-8H2,1H3
Additionnal Information
IUPAC name: hexyl cyclopropanecarboxylate
Shipping Conditions
Room Temperature

Chemical Information

Cyclopropanecarboxylic Acid Hexyl Ester
CAS Number60128-03-2
PubChem CID22256575
IUPAC Namehexyl cyclopropanecarboxylate
Molecular FormulaC10H18O2
Molecular Weight170.25
XLogP2.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count12
Formal Charge0
Complexity139
SMILES
CCCCCCOC(=O)C1CC1
InChI
InChI=1S/C10H18O2/c1-2-3-4-5-8-12-10(11)9-6-7-9/h9H,2-8H2,1H3
InChIKey
CHYCGNMYMRDZJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclopropanecarboxylic Acid Hexyl Ester
CAS: 60128-03-2
CID: 22256575
Formula: C10H18O2
MW: 170.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.25
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass170.130679813
Monoisotopic Mass170.130679813
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity139
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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