Isopropenyl acetate

CAT: 0024-sc-396799Size: 250 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-396799Size:250 mL

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CAS Number

108-22-5

Chemical Information

Isopropenyl acetate

Isopropenyl acetate is an ester.

CAS Number	108-22-5
PubChem CID	7916
IUPAC Name	prop-1-en-2-yl acetate
Molecular Formula	C5H8O2
Molecular Weight	100.12
XLogP	1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	94

SMILES

CC(=C)OC(=O)C

InChI

InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3

InChIKey

HETCEOQFVDFGSY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108-22-5

CID: 7916

Formula: C5H8O2

MW: 100.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	100.12
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	100.052429494
Monoisotopic Mass	100.052429494
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	94.3
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

Catalog	Name
sc-268939	Dimethyl isopropenyl phosphate
sc-291955	Benzyl isopropenyl ether
sc-291955A	Benzyl isopropenyl ether
sc-487430	3-Isopropenyl-α, α-dimethylbenzyl Isocyanate
sc-250197	Isopropyl acetate
sc-208646	1-Isopropenyl-2-benzimidazolidinone
sc-489313	2-Isopropenyl-6-isopropylphenol
sc-488971	Isopropyl Acetate-d10
sc-320230	1-Isopropenyl-4-trifluoromethyl-benzene
sc-288164	2-Isopropenyl-5-methyl-5-vinyltetrahydrofuran

Catalog	Name
TRC-I822780-100G	Isopropenyl Acetate
13627-01	Isopropenyl Acetate extrapure, 99%
OR1002596	Isopropenyl chloroformate
TRC-D496083-5G	Diethyl Isopropenyl Phosphate
OR936797-01	Benzyl isopropenyl ether
MBS6106815-01	Isopropenyl-benzimidazolidinone-2
I08870-01	Isopropenyl bromide 99%
418464-01	2-Isopropenyl-2-oxazoline
TRC-I822985-2.5G	Isopropenyl (4-Nitrophenyl) Carbonate
TRC-I872825-1G	1-Isopropenyl-3-methylbenzene