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3-Methoxypropanamide

CAT: 0127-OR1064921-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1064921-02Size:250 mg
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CAS Number
15438-67-2
MDL Number
MFCD11646082
Purity
95%
Smiles
O=C(N)CCOC

Chemical Information

3-Methoxypropanamide
CAS Number15438-67-2
PubChem CID5252481
IUPAC Name3-methoxypropanamide
Molecular FormulaC4H9NO2
Molecular Weight103.12
XLogP-1.1
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity62
SMILES
COCCC(=O)N
InChI
InChI=1S/C4H9NO2/c1-7-3-2-4(5)6/h2-3H2,1H3,(H2,5,6)
InChIKey
BPXCLLWXDHBFRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxypropanamide
CAS: 15438-67-2
CID: 5252481
Formula: C4H9NO2
MW: 103.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight103.12
XLogP3-1.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass103.063328530
Monoisotopic Mass103.063328530
Topological Polar Surface Area52.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity62.7
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