Mal-PEG2-acid

CAT: 0607-BA2464-250Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2464-250Size:250 mg

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CAS Number

1374666-32-6

Form

A solid

Molecular Formula

C11H15NO6

Molecular Weight

257.24

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Mal-PEG2-acid

CAS Number	1374666-32-6
PubChem CID	68028837
IUPAC Name	3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoic acid
Molecular Formula	C11H15NO6
Molecular Weight	257.24
XLogP	-0.3
Topological Polar Surface Area	93.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	18
Formal Charge	0
Complexity	333

SMILES

C1=CC(=O)N(C1=O)CCOCCOCCC(=O)O

InChI

InChI=1S/C11H15NO6/c13-9-1-2-10(14)12(9)4-6-18-8-7-17-5-3-11(15)16/h1-2H,3-8H2,(H,15,16)

InChIKey

TXMDOUPVKVGPIS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1374666-32-6

CID: 68028837

Formula: C11H15NO6

MW: 257.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.24
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	257.08993720
Monoisotopic Mass	257.08993720
Topological Polar Surface Area	93.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	333
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