2-Chloro-1,1-Dimethoxypropane

CAT: 1299-RG-C081286-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-C081286-01Size:10 mg

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CAS Number

87894-32-4

Synonyms

2-chloro-1,1-dimethoxypropane

Molecular Formula

C5H11ClO2

Molecular Weight

138.59

Product Name Synonym

2-chloro-1,1-dimethoxypropane

Chemical Information

2-Chloropropionaldehyde dimethyl acetal

CAS Number	87894-32-4
PubChem CID	5152854
IUPAC Name	2-chloro-1,1-dimethoxypropane
Molecular Formula	C5H11ClO2
Molecular Weight	138.59
XLogP	1.1
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	54

SMILES

CC(C(OC)OC)Cl

InChI

InChI=1S/C5H11ClO2/c1-4(6)5(7-2)8-3/h4-5H,1-3H3

InChIKey

USYKAPHTJDDRLV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 87894-32-4

CID: 5152854

Formula: C5H11ClO2

MW: 138.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.59
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	138.0447573
Monoisotopic Mass	138.0447573
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	54.4
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

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Catalog	Name
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415706-01	2-Bromo-1,1-dimethoxypropane
LKB59328-01	2-Isocyanato-1,1-dimethoxypropane
sc-222665A	1-Bromo-2,2-dimethoxypropane
OR1065344-01	1,3-Dimethoxypropane
BGD58711-01	2,3-Dimethoxypropane-1-sulfonamide
QDA32139-01	2-Bromo-1,3-dimethoxypropane
AZC96317-01	1,3-Dimethoxypropane-2-sulfonamide