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1,10-Decanediol

CAT: 0926-FD15257-02Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0926-FD15257-02Size:1 Kg
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CAS Number
112-47-0
Synonyms
Decamethylene glycol
MDL Number
MFCD00004749
Smiles
C (CCCCCO) CCCCO
Molecular Formula
C10H22O2
Molecular Weight
174.28 g/mol
Controlled
No

Chemical Information

1,10-Decanediol

1,10-decanediol has been reported in Perilla frutescens with data available.

CAS Number112-47-0
PubChem CID37153
IUPAC Namedecane-1,10-diol
Molecular FormulaC10H22O2
Molecular Weight174.28
XLogP2.5
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count12
Formal Charge0
Complexity64
SMILES
C(CCCCCO)CCCCO
InChI
InChI=1S/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2
InChIKey
FOTKYAAJKYLFFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,10-Decanediol
CAS: 112-47-0
CID: 37153
Formula: C10H22O2
MW: 174.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.28
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass174.161979940
Monoisotopic Mass174.161979940
Topological Polar Surface Area40.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity64.2
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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