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1-Penten-3-ol

CAT: 0572-TRC-P227505-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P227505-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
616-25-1
Synonyms
(±)-1-Penten-3-ol; 1-Ethylallyl alcohol; 3-Hydroxy-1-pentene; Ethyl vinyl carbinol; NSC 65446; α-Ethylallyl alcohol
Hazard Statement
Flammable liquid and vapour; UN number: UN1987; Packing Group: III
Smiles
CCC(O)C=C
Molecular Formula
C5H10O
Molecular Weight
86.13
InChI
InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3
Additionnal Information
IUPAC name: pent-1-en-3-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-Penten-3-Ol

1-Penten-3-ol is an alcohol.

CAS Number616-25-1
PubChem CID12020
IUPAC Namepent-1-en-3-ol
Molecular FormulaC5H10O
Molecular Weight86.13
XLogP1.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity41
SMILES
CCC(C=C)O
InChI
InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3
InChIKey
VHVMXWZXFBOANQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Penten-3-Ol
CAS: 616-25-1
CID: 12020
Formula: C5H10O
MW: 86.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight86.13
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass86.073164938
Monoisotopic Mass86.073164938
Topological Polar Surface Area20.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity41.2
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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