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(E)-2-Cycloheptadecen-1-one

CAT: 0572-TRC-C420580-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C420580-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
160142-88-1
Hazard Statement
No Data Available
Smiles
O=C1CCCCCCCCCCCCCC\C=C\1
Molecular Formula
C17 H30 O
Molecular Weight
250.419
InChI
InChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h13,15H,1-12,14,16H2/b15-13+
Additionnal Information
IUPAC name: (2E)-cycloheptadec-2-en-1-one
Shipping Conditions
Room Temperature

Chemical Information

Cycloheptadec-2-en-1-one
CAS Number160142-88-1
PubChem CID69505358
IUPAC Namecycloheptadec-2-en-1-one
Molecular FormulaC17H30O
Molecular Weight250.4
XLogP6.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity230
SMILES
C1CCCCCCCC(=O)C=CCCCCCC1
InChI
InChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h13,15H,1-12,14,16H2
InChIKey
LANDSVZPBNMFKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cycloheptadec-2-en-1-one
CAS: 160142-88-1
CID: 69505358
Formula: C17H30O
MW: 250.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.4
XLogP36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass250.229665576
Monoisotopic Mass250.229665576
Topological Polar Surface Area17.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity230
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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