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2,9-Undecadiyne

CAT: 0286-U00085-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0286-U00085-01Size:1 g
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CAS Number
1785-53-1
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00041621
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

2,9-Undecadiyne
CAS Number1785-53-1
PubChem CID13351096
IUPAC Nameundeca-2,9-diyne
Molecular FormulaC11H16
Molecular Weight148.24
XLogP4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity173
SMILES
CC#CCCCCCC#CC
InChI
InChI=1S/C11H16/c1-3-5-7-9-11-10-8-6-4-2/h7-11H2,1-2H3
InChIKey
FKKNTXVGHXTKPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,9-Undecadiyne
CAS: 1785-53-1
CID: 13351096
Formula: C11H16
MW: 148.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.24
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Exact Mass148.125200510
Monoisotopic Mass148.125200510
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity173
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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