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DL-PROPARGYLGLYCINE

CAT: 1489-D6011-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:1489-D6011-01Size:1 g
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CAS Number
64165-64-6
Purity
0.98

Chemical Information

DL-Propargylglycine

DL-propargylglycine has been reported in Arabidopsis thaliana and Spinacia oleracea with data available.

CAS Number64165-64-6
PubChem CID95575
IUPAC Name2-aminopent-4-ynoic acid
Molecular FormulaC5H7NO2
Molecular Weight113.11
XLogP-2.8
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity133
SMILES
C#CCC(C(=O)O)N
InChI
InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)
InChIKey
DGYHPLMPMRKMPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DL-Propargylglycine
CAS: 64165-64-6
CID: 95575
Formula: C5H7NO2
MW: 113.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight113.11
XLogP3-2.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass113.047678466
Monoisotopic Mass113.047678466
Topological Polar Surface Area63.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes