Propargyl-PEG2-acid

CAT: 0607-BA2448-5000Size: 5 gDry Ice: NoHazardous: No

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CAT#:0607-BA2448-5000Size:5 g

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CAS Number

1859379-85-3

Form

A liquid

Molecular Formula

C8H12O4

Molecular Weight

172.18

Shipping Conditions

Blue ice

Storage Conditions

4°C.

Chemical Information

3-(2-(Prop-2-yn-1-yloxy)ethoxy)propanoic acid

CAS Number	1859379-85-3
PubChem CID	88878522
IUPAC Name	3-(2-prop-2-ynoxyethoxy)propanoic acid
Molecular Formula	C8H12O4
Molecular Weight	172.18
XLogP	-0.5
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	12
Formal Charge	0
Complexity	167

SMILES

C#CCOCCOCCC(=O)O

InChI

InChI=1S/C8H12O4/c1-2-4-11-6-7-12-5-3-8(9)10/h1H,3-7H2,(H,9,10)

InChIKey

NNWHATPXNWOQKD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1859379-85-3

CID: 88878522

Formula: C8H12O4

MW: 172.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.18
XLogP3	-0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	172.07355886
Monoisotopic Mass	172.07355886
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
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

Catalog	Name
GTR19215730-01	Propargyl-PEG2-acid
571768	N-(Acid-PEG2)-N-bis(PEG2-propargyl)
T16244-01	N- (PEG2-C2-acid) -N-bis (PEG2-propargyl)
MBS5769632	N-(PEG2-C2-acid)-N-bis(PEG2-propargyl)
MBS5769821	Propargyl-PEG2-N-bis(PEG2)
UJB31084	Propargyl-PEG2-NHBoc
T34148-01	Propargyl-PEG2-Boc
T16603-01	Propargyl-PEG2-OH
HY-133191-01	Bis-propargyl-PEG2
573014	Propargyl-PEG2-Tos