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Spiro[2.5]octan-6-one

CAT: 0572-TRC-S699595-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-S699595-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15811-21-9
Hazard Statement
No Data Available
Smiles
O=C1CCC2(CC1)CC2
Molecular Formula
C8 H12 O
Molecular Weight
124.18
InChI
InChI=1S/C8H12O/c9-7-1-3-8(4-2-7)5-6-8/h1-6H2
Additionnal Information
IUPAC name: spiro[2.5]octan-6-one
Shipping Conditions
Room Temperature

Chemical Information

Spiro-[2.5]octan-6-one
CAS Number15811-21-9
PubChem CID19371017
IUPAC Namespiro[2.5]octan-6-one
Molecular FormulaC8H12O
Molecular Weight124.18
XLogP1.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity133
SMILES
C1CC2(CCC1=O)CC2
InChI
InChI=1S/C8H12O/c9-7-1-3-8(4-2-7)5-6-8/h1-6H2
InChIKey
PXIGSUWVCSOFMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spiro-[2.5]octan-6-one
CAS: 15811-21-9
CID: 19371017
Formula: C8H12O
MW: 124.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight124.18
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass124.088815002
Monoisotopic Mass124.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity133
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
QAA81121-01Spiro[2.5]octan-6-one
OR304436Spiro[2.5]octan-5-one
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OR87429Spiro[2.5]octan-6-ylmethanamine
OR906089-01Spiro[2.5]octan-6-ylmethanol
XAA42883-01Spiro[2.5]octan-6-ol
CAA20598-01Spiro[2.5]octan-4-one
OR95494-01Spiro[2.5]octan-6-amine hydrochloride
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