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1-Methoxybutan-2-one

CAT: 0127-OR73735-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR73735-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
50741-70-3
MDL Number
MFCD14691011
Purity
95%
Smiles
CCC(COC)=O

Chemical Information

1-Methoxybutan-2-one
CAS Number50741-70-3
PubChem CID10080345
IUPAC Name1-methoxybutan-2-one
Molecular FormulaC5H10O2
Molecular Weight102.13
XLogP0.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity59
SMILES
CCC(=O)COC
InChI
InChI=1S/C5H10O2/c1-3-5(6)4-7-2/h3-4H2,1-2H3
InChIKey
AKXHGJCMQJQWMU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methoxybutan-2-one
CAS: 50741-70-3
CID: 10080345
Formula: C5H10O2
MW: 102.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight102.13
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass102.068079557
Monoisotopic Mass102.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity59.1
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

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sc-349580A4-methoxybutan-2-one
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MDA30803-011-Chloro-4-methoxybutan-2-one
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