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(E)-2-Heptylidenecyclopentanone

CAT: 0572-TRC-H283188-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H283188-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
162190-76-3
Hazard Statement
Causes skin irritation.
Smiles
O=C1/C(CCC1)=C/CCCCCC
Molecular Formula
C12H20O
Molecular Weight
180.29
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Cyclopentanone, 2-heptylidene-
CAS Number162190-76-3
PubChem CID6441035
IUPAC Name(2E)-2-heptylidenecyclopentan-1-one
Molecular FormulaC12H20O
Molecular Weight180.29
XLogP3.8
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity191
SMILES
CCCCCC/C=C/1\CCCC1=O
InChI
InChI=1S/C12H20O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h8H,2-7,9-10H2,1H3/b11-8+
InChIKey
PBNMXJOZTAVFCR-DHZHZOJOSA-N
Chemical Structure
2D Structure
2D structure of Cyclopentanone, 2-heptylidene-
CAS: 162190-76-3
CID: 6441035
Formula: C12H20O
MW: 180.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.29
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass180.151415257
Monoisotopic Mass180.151415257
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity191
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS5790252(E,E,E)-2,7-dimethylocta-2,4,6-trienedial
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