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1-(Allyloxy)-2-propanol

CAT: 0572-TRC-P565255-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P565255-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21460-36-6
Synonyms
1-(2-propen-1-yloxy)-2-Propanol;(9CI)1-(2-propenyloxy)-2-Propanol;(8CI)1-(allyloxy)-2-Propanol;1-(2-Propen-1-yloxy)-2-propanol; 1-Allyloxypropane-2-ol; 2-(Allyloxy)-1-methylethanol; Allyl 2-hydroxypropyl ether;
Hazard Statement
Flammable liquid and vapour; UN number: UN1993; Packing Group: III
Smiles
CC(O)COCC=C
Molecular Formula
C6H12O2
Molecular Weight
116.16
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Propanol, 1-(2-propenyloxy)-
CAS Number21460-36-6
PubChem CID542178
IUPAC Name1-prop-2-enoxypropan-2-ol
Molecular FormulaC6H12O2
Molecular Weight116.16
XLogP0.5
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity61
SMILES
CC(COCC=C)O
InChI
InChI=1S/C6H12O2/c1-3-4-8-5-6(2)7/h3,6-7H,1,4-5H2,2H3
InChIKey
CJNXVNXBZXMHKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Propanol, 1-(2-propenyloxy)-
CAS: 21460-36-6
CID: 542178
Formula: C6H12O2
MW: 116.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.16
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass116.083729621
Monoisotopic Mass116.083729621
Topological Polar Surface Area29.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity61.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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