S-acetyl-PEG3-acid

CAT: 0127-BIPG1757-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BIPG1757-01Size:25 mg

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

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CAS Number

1421933-33-6

MDL Number

MFCD22574765

Purity

95%

Smiles

CC(=O)SCCOCCOCCOCCC(=O)O

Chemical Information

S-acetyl-PEG3-acid

CAS Number	1421933-33-6
PubChem CID	77078527
IUPAC Name	3-[2-[2-(2-acetylsulfanylethoxy)ethoxy]ethoxy]propanoic acid
Molecular Formula	C11H20O6S
Molecular Weight	280.34
XLogP	-0.3
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	13
Heavy Atom Count	18
Formal Charge	0
Complexity	234

SMILES

CC(=O)SCCOCCOCCOCCC(=O)O

InChI

InChI=1S/C11H20O6S/c1-10(12)18-9-8-17-7-6-16-5-4-15-3-2-11(13)14/h2-9H2,1H3,(H,13,14)

InChIKey

HJNQYRKIZPTUQT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1421933-33-6

CID: 77078527

Formula: C11H20O6S

MW: 280.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.34
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	13
Exact Mass	280.09805953
Monoisotopic Mass	280.09805953
Topological Polar Surface Area	107 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	234
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