2-Ethoxy-Malonic Acid Diethyl Ester

CAT: 0127-OR1010430-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1010430-01Size:250 mg

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CAS Number

37555-99-0

MDL Number

MFCD00087125

Purity

95%

Smiles

O=C(OCC)C(OCC)C(OCC)=O

Chemical Information

Diethyl ethoxypropanedioate

CAS Number	37555-99-0
PubChem CID	12196926
IUPAC Name	diethyl 2-ethoxypropanedioate
Molecular Formula	C9H16O5
Molecular Weight	204.22
XLogP	1.2
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	14
Formal Charge	0
Complexity	172

SMILES

CCOC(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C9H16O5/c1-4-12-7(8(10)13-5-2)9(11)14-6-3/h7H,4-6H2,1-3H3

InChIKey

PMIWYGMNGVBLCH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37555-99-0

CID: 12196926

Formula: C9H16O5

MW: 204.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.22
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	204.09977361
Monoisotopic Mass	204.09977361
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	172
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
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