Bis-PEG25-acid

CAT: 0127-BIPG1260-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-BIPG1260-01Size:250 mg

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CAS Number

1268488-70-5

MDL Number

MFCD21363299

Smiles

OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O

Chemical Information

Bis-PEG9-acid

CAS Number	1268488-70-5
PubChem CID	51340936
IUPAC Name	3-[2-[2-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular Formula	C22H42O13
Molecular Weight	514.6
XLogP	-2.1
Topological Polar Surface Area	158
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	30
Heavy Atom Count	35
Formal Charge	0
Complexity	425

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)C(=O)O

InChI

InChI=1S/C22H42O13/c23-21(24)1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-20-18-34-16-14-32-12-10-30-8-6-28-4-2-22(25)26/h1-20H2,(H,23,24)(H,25,26)

InChIKey

MZPXCHJGEDEJHQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1268488-70-5

CID: 51340936

Formula: C22H42O13

MW: 514.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	514.6
XLogP3	-2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	30
Exact Mass	514.26254139
Monoisotopic Mass	514.26254139
Topological Polar Surface Area	158 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	425
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