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Spiro[3.5]nonan-7-one

CAT: 1266-JH251190Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH251190Size:1 Each
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CAS Number
31058-02-3
UN Code
UN 2987
Hazard Statement
T
Stability
Stable. Incompatible with strong oxidizing agents.
Molecular Formula
C9H14O
Molecular Weight
138.21
Product Name Synonym
Cholesteryl-p-nonylphenylcarbonat
Physical Properties
Colorless or yellowish clear liquid
Hazardous Class
8
Safety Statements
S26; S36
Density
1.24g/cm3
Flash Point
305.4oC
RIDADR
UN 2987
Melting Point
264 - 266 °C

Chemical Information

Spiro[3.5]nonan-7-one
CAS Number31058-02-3
PubChem CID15091318
IUPAC Namespiro[3.5]nonan-7-one
Molecular FormulaC9H14O
Molecular Weight138.21
XLogP1.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity144
SMILES
C1CC2(C1)CCC(=O)CC2
InChI
InChI=1S/C9H14O/c10-8-2-6-9(7-3-8)4-1-5-9/h1-7H2
InChIKey
YNMVUESBVUUFDF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spiro[3.5]nonan-7-one
CAS: 31058-02-3
CID: 15091318
Formula: C9H14O
MW: 138.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight138.21
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass138.104465066
Monoisotopic Mass138.104465066
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity144
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