Bis-Propargyl-PEG13

CAT: 0127-BIPG1305-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-BIPG1305-01Size:250 mg

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CAS Number

1351373-50-6

MDL Number

MFCD28334510

Smiles

C#CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC#C

Chemical Information

Bis-Propargyl-PEG13

CAS Number	1351373-50-6
PubChem CID	86580394
IUPAC Name	3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne
Molecular Formula	C30H54O13
Molecular Weight	622.7
XLogP	-1.5
Topological Polar Surface Area	120
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	38
Heavy Atom Count	43
Formal Charge	0
Complexity	568

SMILES

C#CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC#C

InChI

InChI=1S/C30H54O13/c1-3-5-31-7-9-33-11-13-35-15-17-37-19-21-39-23-25-41-27-29-43-30-28-42-26-24-40-22-20-38-18-16-36-14-12-34-10-8-32-6-4-2/h1-2H,5-30H2

InChIKey

KKRMNIFYBNHKGI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1351373-50-6

CID: 86580394

Formula: C30H54O13

MW: 622.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	622.7
XLogP3	-1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	38
Exact Mass	622.35644177
Monoisotopic Mass	622.35644177
Topological Polar Surface Area	120 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	568
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

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Bis-Propargyl-PEG13

Chemical Information

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