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1-Acetamido-acetone

CAT: 0926-FA51387-01Size: 2 gDry Ice: NoHazardous: No
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CAT#:0926-FA51387-01Size:2 g
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CAS Number
7737-16-8
Synonyms
1-Acetylamino-2-propanone; N- (2-Oxo-propyl) acetamide
MDL Number
MFCD00060626
Smiles
CC (=O) CNC (=O) C
Molecular Formula
C5H9NO2
Molecular Weight
115.13 g/mol
Controlled
No

Chemical Information

N-(2-oxopropyl)acetamide
CAS Number7737-16-8
PubChem CID82185
IUPAC NameN-(2-oxopropyl)acetamide
Molecular FormulaC5H9NO2
Molecular Weight115.13
XLogP-0.7
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity109
SMILES
CC(=O)CNC(=O)C
InChI
InChI=1S/C5H9NO2/c1-4(7)3-6-5(2)8/h3H2,1-2H3,(H,6,8)
InChIKey
SICIPBMLFSQZEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-oxopropyl)acetamide
CAS: 7737-16-8
CID: 82185
Formula: C5H9NO2
MW: 115.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight115.13
XLogP3-0.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass115.063328530
Monoisotopic Mass115.063328530
Topological Polar Surface Area46.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity109
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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