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Propargyl-dPEG®1-NHS Ester

CAT: 0926-DPG-5772-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-DPG-5772-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1174157-65-3
Smiles
C#CCOCCC (=O) ON1C (=O) CCC1=O
Molecular Formula
C10H11NO3
Molecular Weight
225.2 g/mol
Controlled
No

Chemical Information

2,5-Dioxopyrrolidin-1-yl 3-(prop-2-yn-1-yloxy)propanoate
CAS Number1174157-65-3
PubChem CID51340986
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-prop-2-ynoxypropanoate
Molecular FormulaC10H11NO5
Molecular Weight225.20
XLogP-0.9
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity337
SMILES
C#CCOCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C10H11NO5/c1-2-6-15-7-5-10(14)16-11-8(12)3-4-9(11)13/h1H,3-7H2
InChIKey
WKIKHHMUNOVQLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dioxopyrrolidin-1-yl 3-(prop-2-yn-1-yloxy)propanoate
CAS: 1174157-65-3
CID: 51340986
Formula: C10H11NO5
MW: 225.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight225.20
XLogP3-0.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass225.06372245
Monoisotopic Mass225.06372245
Topological Polar Surface Area72.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity337
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