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Methyl 2,2-Dimethoxypropionate

CAT: 0024-sc-487795Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-487795Size:25 g
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CAS Number
10076-48-9

Chemical Information

Methyl 2,2-dimethoxypropionate
CAS Number10076-48-9
PubChem CID82339
IUPAC Namemethyl 2,2-dimethoxypropanoate
Molecular FormulaC6H12O4
Molecular Weight148.16
XLogP0.2
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity117
SMILES
CC(C(=O)OC)(OC)OC
InChI
InChI=1S/C6H12O4/c1-6(9-3,10-4)5(7)8-2/h1-4H3
InChIKey
KHQQDBIXHUJARJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2,2-dimethoxypropionate
CAS: 10076-48-9
CID: 82339
Formula: C6H12O4
MW: 148.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight148.16
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass148.07355886
Monoisotopic Mass148.07355886
Topological Polar Surface Area44.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity117
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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