Dimethyl 2-methoxymalonate

CAT: 0127-OR28628Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR28628Size:1 g

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CAS Number

5018-30-4

Synonyms

Dimethyl 2-methoxypropane-1,3-dioate

MDL Number

MFCD00009847

Purity

97%

Smiles

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

Chemical Information

Dimethyl methoxymalonate

CAS Number	5018-30-4
PubChem CID	78718
IUPAC Name	dimethyl 2-methoxypropanedioate
Molecular Formula	C6H10O5
Molecular Weight	162.14
XLogP	0.1
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	137

SMILES

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

InChI

InChI=1S/C6H10O5/c1-9-4(5(7)10-2)6(8)11-3/h4H,1-3H3

InChIKey

ORXJMBXYSGGCHG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5018-30-4

CID: 78718

Formula: C6H10O5

MW: 162.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.14
XLogP3	0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	162.05282342
Monoisotopic Mass	162.05282342
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	137
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

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