Propargyl-C1-NHS ester

CAT: 0127-BUP10182-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10182-01Size:10 mg

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CAS Number

132178-37-1

Synonyms

4-Pentynoic Acid Succinimidyl Ester

Purity

=98%

Smiles

O(C(CCC#C)=O)N1C(=O)CCC1=O

Chemical Information

2,5-Dioxopyrrolidin-1-yl pent-4-ynoate

CAS Number	132178-37-1
PubChem CID	57339402
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) pent-4-ynoate
Molecular Formula	C9H9NO4
Molecular Weight	195.17
XLogP	-0.3
Topological Polar Surface Area	63.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	309

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

CAS: 132178-37-1

CID: 57339402

Formula: C9H9NO4

MW: 195.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.17
XLogP3	-0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	195.05315777
Monoisotopic Mass	195.05315777
Topological Polar Surface Area	63.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	309
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19177959-01	Propargyl-C1-NHS ester
T16630	Propargyl-PEG4-O-C1-NHS ester
HY-126514	Propargyl-O-C1-amido-PEG2-C2-NHS ester
MBS5800000	Propargyl-O-C1-amido-PEG3-C2-NHS ester
HY-126515-01	Propargyl-O-C1-amido-PEG4-C2-NHS ester
HY-130376-01	Propargyl-PEG8-NHS ester
HY-126513-01	Propargyl-PEG1-NHS ester
GTR19226191-01	Propargyl-PEG6-NHS ester