2-Acetoxypropionyl Chloride

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CAS Number

38939-83-2

Synonyms

O-Acetyllactoyl Chloride

MDL Number

MFCD18969061

Purity

>97.0%

Smiles

CC (C (=O) Cl) OC (=O) C

Chemical Information

2-Acetoxypropionyl Chloride

CAS Number	38939-83-2
PubChem CID	4547492
IUPAC Name	(1-chloro-1-oxopropan-2-yl) acetate
Molecular Formula	C5H7ClO3
Molecular Weight	150.56
XLogP	1.1
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	132

SMILES

CC(C(=O)Cl)OC(=O)C

InChI

InChI=1S/C5H7ClO3/c1-3(5(6)8)9-4(2)7/h3H,1-2H3

InChIKey

ALHZEIINTQJLOT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 38939-83-2

CID: 4547492

Formula: C5H7ClO3

MW: 150.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.56
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	150.0083718
Monoisotopic Mass	150.0083718
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	132
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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OR12707-01	2,2-Diphenylethylsulphonyl chloride
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Catalog	Name
sc-253471	(S) - (-) -2-Acetoxypropionyl chloride
TRC-R298520-50MG	(R)-(+)-2-Acetoxypropionyl Chloride
TRC-A167743-10G	L-a-Acetoxypropionyl Chloride
TRC-A167743-1G	L-Alpha-Acetoxypropionyl Chloride
AR-M04944-01	Mivacurium Chloride Impurity 2 Chloride
820010	2‐TRIMETHYLSILYL ETHOXYMETHYL CHLORIDE (SEM CHLORIDE)
097335-01	2-Furoyl Chloride for Synthesis (Furan-2-Carbonyl Chloride)
TRC-D492208-250MG	2,2'-Disulfanediyldibenzoyl Chloride
TRC-D471465-1G	2,2-Dimethylbutanoyl Chloride
sc-275207	2,2-Dimethylbutyryl chloride