Isopropyl methoxyacetate

CAT: 0127-OR80672-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR80672-01Size:5 g

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CAS Number

17640-21-0

MDL Number

MFCD16038497

Purity

98%

Smiles

O=C(COC)OC(C)C

Chemical Information

1-Methylethyl 2-methoxyacetate

CAS Number	17640-21-0
PubChem CID	542192
IUPAC Name	propan-2-yl 2-methoxyacetate
Molecular Formula	C6H12O3
Molecular Weight	132.16
XLogP	0.8
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	88

SMILES

CC(C)OC(=O)COC

InChI

InChI=1S/C6H12O3/c1-5(2)9-6(7)4-8-3/h5H,4H2,1-3H3

InChIKey

XYXFJNIUUWEUIJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17640-21-0

CID: 542192

Formula: C6H12O3

MW: 132.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	132.16
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	132.078644241
Monoisotopic Mass	132.078644241
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	88.3
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
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Catalog	Name
281757-01	Methyl methoxyacetate
GTR19252893-01	Ethyl Methoxyacetate
AR-A05400-01	Tetradecyl Methoxyacetate
AR-A05399-01	Tridecyl Methoxyacetate
AR-A05398-01	Dodecyl Methoxyacetate
AR-A05401-01	Pentadecyl Methoxyacetate
RG-M050833-01	Methyl 2-Methoxyacetate
SAA64022-01	Butyl 2-methoxyacetate
E12210-01	Ethyl methoxyacetate 98%
454929-01	Methyl 2-Diethoxyphosphoryl-2-methoxyacetate