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Propargyl-C1-NHS ester

CAT: 0607-A9033-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A9033-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
132178-37-1
Product Name Alternative
2,5-dioxopyrrolidin-1-yl pent-4-ynoate
Purity
0.98
Solubility
Soluble in DMSO
Smiles
O=C1N(OC(CCC#C)=O)C(CC1)=O
Molecular Formula
C9H9NO4
Molecular Weight
195.17
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

2,5-Dioxopyrrolidin-1-yl pent-4-ynoate
CAS Number132178-37-1
PubChem CID57339402
IUPAC Name(2,5-dioxopyrrolidin-1-yl) pent-4-ynoate
Molecular FormulaC9H9NO4
Molecular Weight195.17
XLogP-0.3
Topological Polar Surface Area63.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity309
SMILES
C#CCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C9H9NO4/c1-2-3-4-9(13)14-10-7(11)5-6-8(10)12/h1H,3-6H2
InChIKey
VLQOCPXVAZTWQR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dioxopyrrolidin-1-yl pent-4-ynoate
CAS: 132178-37-1
CID: 57339402
Formula: C9H9NO4
MW: 195.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.17
XLogP3-0.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass195.05315777
Monoisotopic Mass195.05315777
Topological Polar Surface Area63.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity309
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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Alternative Products

CatalogName
BUP10182-01Propargyl-C1-NHS ester
T16630Propargyl-PEG4-O-C1-NHS ester
HY-126514Propargyl-O-C1-amido-PEG2-C2-NHS ester
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HY-126515-01Propargyl-O-C1-amido-PEG4-C2-NHS ester
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