Methyl 2,2,2-trimethoxyacetate

CAT: 0127-OR918584-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR918584-01Size:1 g

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CAS Number

18370-95-1

MDL Number

MFCD09701200

Purity

95%

Smiles

COC(=O)C(OC)(OC)OC

Chemical Information

Methyl 2,2,2-trimethoxyacetate

CAS Number	18370-95-1
PubChem CID	12586559
IUPAC Name	methyl 2,2,2-trimethoxyacetate
Molecular Formula	C6H12O5
Molecular Weight	164.16
XLogP	-0.2
Topological Polar Surface Area	54
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	121

SMILES

COC(=O)C(OC)(OC)OC

InChI

InChI=1S/C6H12O5/c1-8-5(7)6(9-2,10-3)11-4/h1-4H3

InChIKey

QTABOWCQAPYNPP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18370-95-1

CID: 12586559

Formula: C6H12O5

MW: 164.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.16
XLogP3	-0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	164.06847348
Monoisotopic Mass	164.06847348
Topological Polar Surface Area	54 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	121
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
OR939203-01	Ethyl 2,2,2-triethoxyacetate
OR1045401-01	Methyl 2-methyl-2- (2-nitrophenyl) propanoate
PC501402	2'-Methyl-2,2,2-trifluoroacetophenone
OR1103241-01	2-Methyl-2-phenylpyrrolidine
OR1072614-01	2-Methyl-2-phenylpropanal
OR1024865-01	2-Methyl-2-Imidazoline
OR1043892-01	2-Methyl-2-pentene
OR340188	2-Methyl-2-phenylaziridine
PC51398	Methyl 2,2-difluorohexanoate
PC104132	Methyl 2,2-difluorocyclopropaneacetate

Catalog	Name
284763-01	Methyl trimethoxyacetate
JXB01854-01	Methyl 2-methyl-2- ((2,2,2-trifluoroethyl) amino) propanoate
418652-01	2-Methyl (E) -2-Methyl-2-pentenoate
abx186702-01	Methyl 2-methyl-2-phenylpropanoate
EDA34172-01	Methyl 2-cyano-2-methyl-2-phenylacetate
sc-228505	Methyl 2,2,2-trichloroacetimidate
FM104406-01	Methyl 2,2,2-trifluoroacetate
FM177915-01	2-Methyl-2-propenoic acid butyl ester polymer with 2- (dimethylamino) ethyl 2-methyl-2-propenoate and methyl 2-methyl-2-propenoate
LDA00016-01	Methyl 2-methyl-2- (pyrrolidin-2-yl) propanoate
FH TL 00A1-01	Methyl 2-[ (2-methoxycarbonylphenyl) - (2-methylphenyl) methyl]benzoate