Mal-PEG2-NHS

CAT: 0127-OR1006699-03Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1006699-03Size:1 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

329364-72-9

Purity

95%

Smiles

O=C1C=CC(N1CCOCCOCC(ON2C(CCC2=O)=O)=O)=O

Chemical Information

Mal-PEG2-NHS

CAS Number	329364-72-9
PubChem CID	121396858
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetate
Molecular Formula	C14H16N2O8
Molecular Weight	340.28
XLogP	-1.8
Topological Polar Surface Area	120
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Heavy Atom Count	24
Formal Charge	0
Complexity	551

SMILES

C1CC(=O)N(C1=O)OC(=O)COCCOCCN2C(=O)C=CC2=O

InChI

InChI=1S/C14H16N2O8/c17-10-1-2-11(18)15(10)5-6-22-7-8-23-9-14(21)24-16-12(19)3-4-13(16)20/h1-2H,3-9H2

InChIKey

HLLLISBRYDGYSK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 329364-72-9

CID: 121396858

Formula: C14H16N2O8

MW: 340.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	340.28
XLogP3	-1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Exact Mass	340.09066547
Monoisotopic Mass	340.09066547
Topological Polar Surface Area	120 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	551
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