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Undecyl isocyanate

CAT: 0024-sc-224340Size: 2 gDry Ice: NoHazardous: No
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CAT#:0024-sc-224340Size:2 g
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CAS Number
2411-58-7

Chemical Information

Undecyl isocyanate
CAS Number2411-58-7
PubChem CID350245
IUPAC Name1-isocyanatoundecane
Molecular FormulaC12H23NO
Molecular Weight197.32
XLogP6
Topological Polar Surface Area29.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Heavy Atom Count14
Formal Charge0
Complexity150
SMILES
CCCCCCCCCCCN=C=O
InChI
InChI=1S/C12H23NO/c1-2-3-4-5-6-7-8-9-10-11-13-12-14/h2-11H2,1H3
InChIKey
JXAYHHMVMJVFPQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Undecyl isocyanate
CAS: 2411-58-7
CID: 350245
Formula: C12H23NO
MW: 197.32
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.32
XLogP36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass197.177964357
Monoisotopic Mass197.177964357
Topological Polar Surface Area29.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity150
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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sc-476954Undecyl Ether
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sc-490372Heptyl Undecyl Phthalate
sc-503326Nonyl Undecyl Phthalate
sc-234788Diphenylmethyl isocyanate
sc-227702Cyclohexanemethyl isocyanate
sc-255690Trichloroacetyl isocyanate
sc-227745Decyl isocyanate

Alternative Products

CatalogName
HY-W497648Undecyl acetate
HY-165990Undecyl methanesulfonate
291849-01Undecyl cyanide
U00445-01Undecyl alcohol
TRC-D414900-1GDialkyl Phthalate (Alkyl= Heptyl:Heptyl, Nonyl:Nonyl, Undecyl:Undecyl, Heptyl:Nonyl, Heptyl:Undecyl, Nonyl:Undecyl)
OR1078000Undecyl Ether
OR1049207-01Undecyl formate
446543-01Dialkyl Phthalate (Alkyl= Heptyl:Heptyl, Nonyl:Nonyl, Undecyl:Undecyl, Heptyl:Nonyl, Heptyl:Undecyl, Nonyl:Undecyl) discontinued
TRC-D414900-100MGDialkyl Phthalate (Alkyl= Heptyl:Heptyl, Nonyl:Nonyl, Undecyl:Undecyl, Heptyl:Nonyl, Heptyl:Undecyl,
DU05104-01Undecyl a-D-maltopyranoside

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