Allyl Alcohol extrapure, 99%

CAT: 0565-19093-01Size: 500 mLDry Ice: NoHazardous: No

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Description

Part A

CAS Number

107-18-6

UN Code

UN No.: 1098, IMCO Class No.: 6.1 (3), Packing Group: I

Storage Temperature

Room Temperature

Chemical Information

Allyl Alcohol

Allyl alcohol is a propenol in which the C=C bond connects C-2 and C-3. It is has been found in garlic (Allium sativum). Formerly used as a herbicide for the control of various grass and weed seeds. It has a role as a fungicide, a herbicide, an insecticide, an antibacterial agent and a plant metabolite. It is a primary allylic alcohol and a propenol.

CAS Number	107-18-6
PubChem CID	7858
IUPAC Name	prop-2-en-1-ol
Molecular Formula	C3H6O
Molecular Weight	58.08
XLogP	0.2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	4
Formal Charge	0
Complexity	17

SMILES

C=CCO

InChI

InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2

InChIKey

XXROGKLTLUQVRX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 107-18-6

CID: 7858

Formula: C3H6O

MW: 58.08

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	58.08
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	58.041864811
Monoisotopic Mass	58.041864811
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	17.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Allyl Alcohol extrapure, 99%

Chemical Information

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