Mal-PEG1-NHS ester

CAT: 0926-HXC51872-02Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-HXC51872-02Size:500 mg

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CAS Number

1807518-72-4

MDL Number

MFCD26127783

Smiles

C1CC (=O) N (C1=O) OC (=O) CCOCCN2C (=O) C=CC2=O

Molecular Formula

C13H14N2O7

Molecular Weight

310.26 g/mol

Controlled

Chemical Information

Mal-PEG1-NHS ester

CAS Number	1807518-72-4
PubChem CID	59992617
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate
Molecular Formula	C13H14N2O7
Molecular Weight	310.26
XLogP	-1.7
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	22
Formal Charge	0
Complexity	521

SMILES

C1CC(=O)N(C1=O)OC(=O)CCOCCN2C(=O)C=CC2=O

InChI

InChI=1S/C13H14N2O7/c16-9-1-2-10(17)14(9)6-8-21-7-5-13(20)22-15-11(18)3-4-12(15)19/h1-2H,3-8H2

InChIKey

AMRJPIJPLBUEHO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1807518-72-4

CID: 59992617

Formula: C13H14N2O7

MW: 310.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	310.26
XLogP3	-1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	310.08010079
Monoisotopic Mass	310.08010079
Topological Polar Surface Area	110 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	521
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