Amino-PEG7-acid

CAT: 0127-BUP06055-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP06055-01Size:5 mg

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CAS Number

2376111-92-9

Purity

=98%

Smiles

C(COCCOCCOCCOCCOCCN)OCCOCCC(O)=O

Chemical Information

Amino-PEG7-acid

CAS Number	2376111-92-9
PubChem CID	75412422
IUPAC Name	3-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular Formula	C17H35NO9
Molecular Weight	397.5
XLogP	-4.5
Topological Polar Surface Area	128
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	23
Heavy Atom Count	27
Formal Charge	0
Complexity	308

SMILES

C(COCCOCCOCCOCCOCCOCCOCCN)C(=O)O

InChI

InChI=1S/C17H35NO9/c18-2-4-22-6-8-24-10-12-26-14-16-27-15-13-25-11-9-23-7-5-21-3-1-17(19)20/h1-16,18H2,(H,19,20)

InChIKey

IQXCHVHWNHSNMT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2376111-92-9

CID: 75412422

Formula: C17H35NO9

MW: 397.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	397.5
XLogP3	-4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	23
Exact Mass	397.23118169
Monoisotopic Mass	397.23118169
Topological Polar Surface Area	128 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	308
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