2-Acetoxyethyl acetoxymethyl ether

CAT: 0127-OR74975-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR74975-01Size:100 g

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CAS Number

59278-00-1

MDL Number

MFCD09031327

Purity

98%

Smiles

CC(OCCOCOC(C)=O)=O

Chemical Information

2-((Acetyloxy)methoxy)ethyl acetate

CAS Number	59278-00-1
PubChem CID	100999
IUPAC Name	2-(acetyloxymethoxy)ethyl acetate
Molecular Formula	C7H12O5
Molecular Weight	176.17
XLogP	0
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	12
Formal Charge	0
Complexity	154

SMILES

CC(=O)OCCOCOC(=O)C

InChI

InChI=1S/C7H12O5/c1-6(8)11-4-3-10-5-12-7(2)9/h3-5H2,1-2H3

InChIKey

XFEQOLXBMLXKDE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59278-00-1

CID: 100999

Formula: C7H12O5

MW: 176.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.17
XLogP3	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	176.06847348
Monoisotopic Mass	176.06847348
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	154
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
PC56180-01	Potassium (2-acetoxyethyl) trifluoroborate
OR1043853-01	N- (2-Acetoxyethyl) phthalimide
OR1048827-01	(2-Acetoxyethyl) boronic acid
OR1075129-01	Methyl 2- (acetoxymethyl) acrylate
OR6750T-01	5-Acetoxymethyl-2-furaldehyde
BIBR1127	6- (1-Acetoxyethyl) -2,7-dimethoxyjuglone
PC105401-01	Potassium (Acetoxymethyl) Trifluoroborate
OR918908-01	5-Acetoxymethyl-2-furancarboxylic acid
OR360609-01	3- (Acetoxymethyl) phenylboronic acid
OR9468	4- (Acetoxymethyl) benzeneboronic acid

Catalog	Name
O8098	2-Oxa-1,4-butanediol diacetate ((2-Acetoxyethoxy) methylacetate, 1,4-Diacetoxy-2-oxabutane, 2-Acetoxyethyl acetoxymethyl ether)
MBS6098100-01	2-Oxa-1,4-butanediol diacetate ((2-Acetoxyethoxy)methylacetate, 1,4-Diacetoxy-2-oxabutane, 2-Acetoxyethyl acetoxymethyl ether)
NA11237-01	5-Acetoxymethyl-2'-deoxyuridine
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FA16999-01	5-Acetoxymethyl-2-furancarboxylic acid
MBS6045554-01	5-Acetoxymethyl-2,3-dimethylpyridine
TRC-A167502-10MG	5-Acetoxymethyl-2-furaldehyde-13C6
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