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N- (Hydroxymethyl) isobutyramide

CAT: 0127-OR1068834Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1068834Size:5 g
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CAS Number
20605-08-7
MDL Number
MFCD19217837
Purity
97%
Smiles
CC(C)C(NCO)=O

Chemical Information

N-(Hydroxymethyl)isobutyramide
CAS Number20605-08-7
PubChem CID53823787
IUPAC NameN-(hydroxymethyl)-2-methylpropanamide
Molecular FormulaC5H11NO2
Molecular Weight117.15
XLogP0
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity80
SMILES
CC(C)C(=O)NCO
InChI
InChI=1S/C5H11NO2/c1-4(2)5(8)6-3-7/h4,7H,3H2,1-2H3,(H,6,8)
InChIKey
FXPGYAXCQYSOGY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(Hydroxymethyl)isobutyramide
CAS: 20605-08-7
CID: 53823787
Formula: C5H11NO2
MW: 117.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight117.15
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass117.078978594
Monoisotopic Mass117.078978594
Topological Polar Surface Area49.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity80.5
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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