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Methyl 2-methoxy-2-methylpropanoate

CAT: 0127-OR1041151-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1041151-01Size:100 mg
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CAS Number
17860-39-8
MDL Number
MFCD13881934
Purity
98%
Smiles
CC(C)(OC)C(OC)=O

Chemical Information

Methyl 2-methoxy-2-methylpropanoate
CAS Number17860-39-8
PubChem CID12566213
IUPAC Namemethyl 2-methoxy-2-methylpropanoate
Molecular FormulaC6H12O3
Molecular Weight132.16
XLogP0.6
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity107
SMILES
CC(C)(C(=O)OC)OC
InChI
InChI=1S/C6H12O3/c1-6(2,9-4)5(7)8-3/h1-4H3
InChIKey
AKWHOGIYEOZALP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-methoxy-2-methylpropanoate
CAS: 17860-39-8
CID: 12566213
Formula: C6H12O3
MW: 132.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight132.16
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass132.078644241
Monoisotopic Mass132.078644241
Topological Polar Surface Area35.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity107
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