Products for Research Use Only

4- (Prop-2-yn-1-yl) morpholin-3-one

CAT: 0926-TKC37773-01Size: 250 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-TKC37773-01Size:250 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1518377-73-5
MDL Number
MFCD21933429
Smiles
C#CCN1CCOCC1=O
Molecular Formula
C7H9NO2
Molecular Weight
139.15 g/mol
Controlled
No

Chemical Information

4-(Prop-2-yn-1-yl)morpholin-3-one
CAS Number1518377-73-5
PubChem CID79467876
IUPAC Name4-prop-2-ynylmorpholin-3-one
Molecular FormulaC7H9NO2
Molecular Weight139.15
XLogP-0.5
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity179
SMILES
C#CCN1CCOCC1=O
InChI
InChI=1S/C7H9NO2/c1-2-3-8-4-5-10-6-7(8)9/h1H,3-6H2
InChIKey
QRZBCKYEVNIPSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Prop-2-yn-1-yl)morpholin-3-one
CAS: 1518377-73-5
CID: 79467876
Formula: C7H9NO2
MW: 139.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight139.15
XLogP3-0.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass139.063328530
Monoisotopic Mass139.063328530
Topological Polar Surface Area29.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity179
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