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Methyl 3-methoxypropionate

CAT: 0127-OR938562-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR938562-01Size:100 g
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CAS Number
3852-09-3
MDL Number
MFCD00059085
Purity
95%
Smiles
COCCC(=O)OC

Chemical Information

Methyl 3-methoxypropionate
CAS Number3852-09-3
PubChem CID19710
IUPAC Namemethyl 3-methoxypropanoate
Molecular FormulaC5H10O3
Molecular Weight118.13
XLogP-0.1
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity70
SMILES
COCCC(=O)OC
InChI
InChI=1S/C5H10O3/c1-7-4-3-5(6)8-2/h3-4H2,1-2H3
InChIKey
BDJSOPWXYLFTNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-methoxypropionate
CAS: 3852-09-3
CID: 19710
Formula: C5H10O3
MW: 118.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight118.13
XLogP3-0.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass118.062994177
Monoisotopic Mass118.062994177
Topological Polar Surface Area35.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity70.1
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